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
0.9448 -2.1156 0.2355 O 0 0 0 0 0 1 0 0 0 0 0 0
1.2004 -1.1960 -0.7632 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0186 -1.5215 -1.6616 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5885 0.1389 -0.8587 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3601 0.4117 0.2569 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1015 1.4340 1.0372 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5272 -0.4370 0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8179 -1.4217 -0.2567 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3536 -0.1107 1.5173 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.6426 -1.6418 0.7962 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0295 -2.0752 -0.5104 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5184 -1.9943 -0.3517 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2009 -0.5423 -0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0820 -0.2750 0.2266 Sn 0 0 0 0 0 3 0 0 0 0 0 0
0.7304 1.5952 -0.3973 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6380 2.5541 0.7708 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1960 3.9175 0.4159 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3892 4.4613 -0.7424 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0488 -1.8411 1.0823 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5537 -1.6690 0.8550 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7568 -1.6549 -0.6497 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2060 -1.4901 -1.0231 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0015 4.8969 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1459 4.1624 -0.6585 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9104 2.6563 -0.6777 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7694 2.1374 0.7532 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4421 -0.0011 0.5618 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-2.1957 -1.1655 0.1828 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9145 -2.6488 0.2112 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2252 -3.3544 -0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0966 -4.8419 -0.0714 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3765 -0.5367 -0.4461 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5963 -0.2300 0.4309 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8055 -0.6469 -0.3803 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0781 -0.4001 0.3642 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3993 0.8732 -0.8984 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0123 0.2271 -1.8032 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7550 2.0520 0.8848 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7584 1.6656 1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6712 -2.0166 0.9428 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7127 -0.5258 0.8368 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9447 -1.9288 1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3054 -1.3305 -1.3008 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3011 -3.0997 -0.7724 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9959 -2.2012 -1.3238 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1621 -2.6584 0.4445 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5771 0.0615 -0.8777 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6785 -0.2149 0.9099 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7854 1.5124 -0.7219 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1316 2.0347 -1.2217 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4214 2.6197 1.0914 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2075 2.0881 1.6056 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0915 4.5610 1.3063 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2676 3.8276 0.1759 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3179 5.5621 -0.6465 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9293 4.1868 -1.6855 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6135 3.9818 -0.8199 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8727 -1.9359 2.1942 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7031 -2.8047 0.6551 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8862 -0.7081 1.2798 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0956 -2.5188 1.3109 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1329 -0.8668 -1.0671 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3445 -2.6352 -1.0167 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5114 -2.3641 -1.6144 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2892 -0.5912 -1.6668 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7718 -1.3791 -0.0678 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4155 5.3348 0.9529 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3347 5.7576 -0.6088 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8359 4.2242 0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2410 4.5536 -1.6816 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1122 4.3393 -0.1485 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0168 2.3777 -1.2525 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7887 2.2073 -1.1823 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1668 2.5333 1.1971 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6705 2.3464 1.3476 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5836 -0.8708 -0.8053 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9893 -0.9438 0.9335 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2522 -2.8715 -0.6662 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4164 -2.9806 1.1189 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9676 -2.9915 0.6614 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5617 -2.9842 -1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7553 -5.2491 0.7367 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0701 -5.2028 0.0672 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5510 -5.2406 -1.0244 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3874 -1.5674 -0.7945 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4841 0.1172 -1.3532 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5231 -0.8583 1.3289 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6576 0.8340 0.6731 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7094 -1.7073 -0.6538 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8257 -0.0646 -1.3271 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7012 -1.3327 0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9117 -0.1568 1.4305 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6990 0.3689 -0.1496 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