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
3.1317 0.0849 0.3563 O 0 0 0 0 0 1 0 0 0 0 0 0
1.8422 -0.2473 -0.0162 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6375 -1.2552 -0.7319 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7280 0.6040 0.4445 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5887 0.1174 -0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3343 0.8988 -0.7943 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0587 -1.2125 0.3207 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3669 -1.9775 1.0415 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2845 -1.6963 -0.1134 O 0 0 0 0 0 1 0 0 0 0 0 0
3.2446 -2.1336 0.4956 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2434 -1.0117 -0.5076 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0100 0.3083 0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6608 0.2877 0.9129 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1698 -0.0458 -0.5883 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-0.1617 -2.0566 -1.2361 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6277 -2.4135 -1.0988 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0077 -2.2737 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1100 -3.2499 1.1276 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4905 1.3142 -0.5919 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0098 2.7431 -0.4281 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1800 3.6778 -0.4325 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7288 5.1047 -0.2711 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7160 -3.8424 1.3645 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9042 -2.9583 0.1419 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7091 -2.0177 0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7794 -1.0766 -1.0758 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0417 0.1823 -0.9956 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-0.2380 2.2312 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6659 2.7144 -1.3611 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0800 2.5944 0.0684 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1856 3.4144 0.9521 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8275 -0.7267 -0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8160 0.1954 0.0683 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0899 -0.6085 0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1526 0.2299 0.9455 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8772 1.6746 0.2013 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7565 0.5634 1.5733 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0370 1.8947 -1.0914 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3030 0.5509 -1.1533 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2591 -2.3656 0.8984 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0200 -1.9547 1.2923 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6142 -3.0443 -0.0609 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2290 -1.0210 -1.0126 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4875 -1.2329 -1.2687 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0477 1.1004 -0.5663 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7862 0.4847 0.9364 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5078 1.1936 1.4986 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6749 -0.5609 1.6513 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4697 -2.7484 -0.6552 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0566 -2.1414 -2.3426 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1889 -1.6820 -1.7194 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8129 -3.4126 -1.4887 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0671 -2.5676 0.4914 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8803 -1.2378 0.7132 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6917 -3.7408 1.9295 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2231 -2.7356 1.5507 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7449 -4.0643 0.4576 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1677 1.0959 0.2439 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1000 1.2117 -1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3300 2.9895 -1.2695 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4917 2.7919 0.5556 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7906 3.5228 -1.3547 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8385 3.4023 0.4412 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8824 5.7125 -1.1854 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3056 5.6143 0.5529 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6496 5.1392 0.0294 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0926 -3.2679 2.2379 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6253 -4.0168 1.4834 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2230 -4.8205 1.2423 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8510 -2.3938 0.1843 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8755 -3.6271 -0.7389 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8133 -2.6643 0.0306 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6860 -1.4607 1.0641 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7130 -0.5183 -1.1077 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7165 -1.7125 -1.9993 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4589 2.8986 -1.0307 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0489 2.3030 -2.6711 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3526 2.0694 -1.9642 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8124 3.7381 -1.7102 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1227 2.9103 0.1808 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0537 1.5110 0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8013 4.1369 1.5543 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6612 2.7295 1.6663 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4723 4.0475 0.3799 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7262 -1.6181 0.0427 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2835 -1.0503 -1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0321 1.1015 -0.5296 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4532 0.5097 1.0631 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4643 -0.9823 -0.7037 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7799 -1.4806 0.9267 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1231 0.0283 0.4482 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1631 -0.0002 2.0131 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8711 1.2977 0.7670 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