Monomers
2-Methylidenebutanedioate;tributylstannanylium
Identifiers
IUPAC name
2-methylidenebutanedioate;tributylstannanylium
InchI
InChI=1S/C5H6O4.6C4H9.2Sn/c1-3(5(8)9)2-4(6)7;6*1-3-4-2;;/h1-2H2,(H,6,7)(H,8,9);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2
InchI Key
HCYQUDAPBSFLSL-UHFFFAOYSA-L
SMILES
[O-]C(=O)CC(=C)C(=O)[O-].CCCC[Sn+](CCCC)CCCC.CCCC[Sn+](CCCC)CCCC
Canonical SMILES
CCCC[Sn+](CCCC)CCCC.CCCC[Sn+](CCCC)CCCC.C=C(CC(=O)[O-])C(=O)[O-]
Isomeric SMILES
CCCC[Sn+](CCCC)CCCC.CCCC[Sn+](CCCC)CCCC.C=C(CC(=O)[O-])C(=O)[O-]
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C29H58O4Sn2
Heavy Atom Count
35
Molecular Weight
708.201
Exact Molecular Weight
710.2379
Valence Electrons
206
Radical Electrons
0
tPSA
80.26
MolLogP
7.1955
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
93 90 0 0 0 0 0 0 0 0999 V2000
-2.6427 0.9796 -0.2412 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.8069 -0.1400 -0.3495 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2136 -1.2731 0.0674 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4537 -0.0351 -0.9413 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5410 0.0462 0.1443 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1157 0.0233 1.3953 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9783 0.1518 -0.1185 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7732 0.2196 0.8366 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4562 0.1764 -1.4098 O 0 0 0 0 0 1 0 0 0 0 0 0
-0.8208 4.7241 -0.2181 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5238 4.1273 -0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5085 2.6938 0.4258 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1544 1.7695 -0.5494 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0287 -0.2076 0.3279 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-1.5161 -1.6803 0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9198 -1.1345 0.0368 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8431 -2.3392 -0.1829 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2813 -1.9378 -0.2075 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8889 -0.8650 1.0885 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7545 -1.3025 -0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0859 -1.7514 0.5314 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0499 -2.2167 -0.5342 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8920 4.6029 0.2847 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6737 4.1592 -0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2481 2.7724 -0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0062 2.3211 -0.7963 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5116 0.3547 -0.1118 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-1.0418 -0.9161 0.5927 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5652 -1.8386 -0.4993 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6577 -2.6736 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2851 -3.6424 -0.7866 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5560 -0.2390 -0.1884 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7544 -1.6554 0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2387 -1.9589 0.2058 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0575 -1.0181 1.0324 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3897 0.8045 -1.6634 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2437 -0.9807 -1.5105 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8336 0.0819 2.2075 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9479 -0.0543 1.5832 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0587 4.7193 -1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6279 4.2711 0.3885 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7784 5.8000 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0581 4.7024 0.7822 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1111 4.2337 -0.9253 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0228 2.5416 1.4116 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5571 2.3521 0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4508 1.7580 -1.4864 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1991 2.0150 -0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4559 -2.4119 0.8791 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3832 -2.2839 -0.8912 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1004 -0.4364 -0.8089 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1809 -0.6994 1.0162 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6633 -3.0197 0.6886 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5592 -2.8991 -1.0775 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6212 -1.9057 -1.2769 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8712 -2.7890 0.2388 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5043 -0.9865 0.2792 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7639 -1.6969 1.7868 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3538 -0.0137 1.6247 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2558 -2.1797 -0.5269 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9086 -0.4901 -0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5273 -0.9352 1.1373 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8542 -2.5753 1.2592 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6847 -3.0122 -0.0724 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5046 -2.5923 -1.4135 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7037 -1.3457 -0.7816 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8284 4.4396 -0.2966 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8208 5.6965 0.4553 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9635 4.0581 1.2466 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8576 4.8728 -0.2872 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9324 4.1305 -1.5544 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0331 2.0257 -0.2505 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0764 2.7787 1.0479 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1641 2.3356 -1.8755 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7870 3.0591 -0.5529 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7107 -1.5770 1.4176 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9048 -0.3407 0.9876 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9395 -1.2790 -1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7599 -2.5305 -0.8093 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2237 -3.1269 1.0542 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4440 -1.9407 0.4696 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5797 -4.5494 -0.1847 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5911 -3.9808 -1.6047 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2303 -3.2765 -1.2376 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8947 -0.1574 -1.2459 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1382 0.4804 0.4209 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4482 -1.6961 1.3754 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1628 -2.3757 -0.2569 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5616 -1.8839 -0.8496 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3906 -3.0255 0.5125 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2339 -0.0731 0.4919 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0786 -1.4837 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6159 -0.8484 2.0438 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 1 0
5 6 2 3
5 7 1 0
7 8 2 0
7 9 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
14 19 1 0
19 20 1 0
20 21 1 0
21 22 1 0
23 24 1 0
24 25 1 0
25 26 1 0
26 27 1 0
27 28 1 0
28 29 1 0
29 30 1 0
30 31 1 0
27 32 1 0
32 33 1 0
33 34 1 0
34 35 1 0
4 36 1 0
4 37 1 0
6 38 1 0
6 39 1 0
10 40 1 0
10 41 1 0
10 42 1 0
11 43 1 0
11 44 1 0
12 45 1 0
12 46 1 0
13 47 1 0
13 48 1 0
15 49 1 0
15 50 1 0
16 51 1 0
16 52 1 0
17 53 1 0
17 54 1 0
18 55 1 0
18 56 1 0
18 57 1 0
19 58 1 0
19 59 1 0
20 60 1 0
20 61 1 0
21 62 1 0
21 63 1 0
22 64 1 0
22 65 1 0
22 66 1 0
23 67 1 0
23 68 1 0
23 69 1 0
24 70 1 0
24 71 1 0
25 72 1 0
25 73 1 0
26 74 1 0
26 75 1 0
28 76 1 0
28 77 1 0
29 78 1 0
29 79 1 0
30 80 1 0
30 81 1 0
31 82 1 0
31 83 1 0
31 84 1 0
32 85 1 0
32 86 1 0
33 87 1 0
33 88 1 0
34 89 1 0
34 90 1 0
35 91 1 0
35 92 1 0
35 93 1 0
M CHG 4 1 -1 9 -1 14 1 27 1
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers