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
2.7960 -0.0634 0.2238 O 0 0 0 0 0 1 0 0 0 0 0 0
1.7061 0.4431 -0.5069 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8054 1.6462 -0.8589 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5468 -0.4025 -0.8202 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5545 -0.1552 0.1546 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9840 -1.1658 0.9098 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1470 1.1530 0.2778 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7429 2.0889 -0.4294 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1592 1.3473 1.1841 O 0 0 0 0 0 1 0 0 0 0 0 0
4.0881 -1.8727 -1.1728 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2553 -2.8451 -0.3643 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8290 -2.3261 -0.3396 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8659 -0.9645 0.3047 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0630 -0.0642 0.4311 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-1.7981 -0.9038 -0.4979 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9757 -0.7172 0.4188 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2505 -1.2847 -0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1258 -2.7733 -0.4262 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1096 2.0287 0.9835 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2973 2.8398 -0.2495 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2529 4.2998 0.1759 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2446 4.4490 1.3237 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9690 -0.6540 0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2561 0.6119 0.2667 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6633 0.5864 -1.1238 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6670 -0.5517 -1.2255 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0725 -0.3245 0.1924 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-1.2678 1.3357 -0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5029 2.6256 -0.2364 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4473 3.7690 -0.3969 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6521 5.0541 -0.5916 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8480 -2.1730 0.8675 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4755 -2.7656 -0.3757 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1706 -4.0717 -0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2524 -3.8055 0.9244 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8760 -1.4552 -0.7261 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1915 -0.2488 -1.8704 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5555 -2.1540 0.8328 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7786 -1.0337 1.6288 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5035 -1.4885 -2.0299 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4101 -1.0166 -0.5378 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9881 -2.3533 -1.5958 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6649 -2.8289 0.6705 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2920 -3.8506 -0.8158 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1545 -3.0253 0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5190 -2.2105 -1.3915 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5061 -0.3017 -0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3139 -0.9873 1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9388 -0.3981 -1.4743 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6290 -1.9781 -0.6992 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7728 -1.2283 1.3665 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1437 0.3623 0.5836 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0419 -1.1691 0.6124 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5789 -0.7301 -1.0533 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1548 -3.1698 -0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7099 -3.2362 0.5017 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4667 -2.9253 -1.2944 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1013 2.3305 1.3145 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6283 2.1581 1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4711 2.6342 -1.0201 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3075 2.5370 -0.5597 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5301 4.9354 -0.6625 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7399 4.5708 0.5779 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5241 5.5216 1.4082 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7641 4.1419 2.2538 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1323 3.8401 1.0517 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9598 -0.4517 1.1146 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3764 -1.2295 1.3588 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1509 -1.3232 -0.2559 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9752 1.4466 0.3153 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4535 0.8038 0.9848 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2514 1.5585 -1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4806 0.3489 -1.8338 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2948 -0.6734 -2.2494 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2505 -1.4812 -0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8211 1.4458 0.9248 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0170 1.1446 -0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0619 2.5164 -1.1861 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1436 2.7562 0.6488 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0415 3.6359 -1.3286 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1244 3.9192 0.4586 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0692 4.9473 -1.4304 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3470 5.9080 -0.8143 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0615 5.2368 0.3229 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0349 -2.8456 1.2259 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5814 -1.9254 1.6435 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1470 -2.0154 -0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6283 -2.9154 -1.1061 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6486 -4.3828 -1.0618 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4724 -4.8523 0.1938 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9124 -4.7012 1.0521 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7942 -3.5732 1.9001 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8476 -2.9345 0.5672 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