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
1.0897 0.3608 -1.9069 O 0 0 0 0 0 1 0 0 0 0 0 0
1.4177 -0.6219 -1.0059 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3893 -1.3685 -1.2177 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6223 -0.8015 0.2199 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4934 0.1633 0.3194 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7475 -0.2544 0.3876 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2130 1.5731 0.3423 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1441 2.3955 0.4257 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0857 2.0178 0.2720 O 0 0 0 0 0 1 0 0 0 0 0 0
-2.7984 -3.1362 1.2447 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8204 -2.8137 -0.2139 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0899 -1.5509 -0.5644 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6296 -1.6627 -0.1569 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3999 0.1533 -0.6662 Sn 0 0 0 0 0 3 0 0 0 0 0 0
2.1036 0.0045 -1.9650 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0174 -1.0637 -1.4023 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4188 -0.6162 -0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3456 -1.6613 0.6149 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5785 2.0616 -0.5371 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2248 2.2303 0.7996 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9201 3.5526 0.9275 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0035 4.7224 0.7624 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0763 -2.0456 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0495 -0.6229 -0.5124 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6195 -0.2851 -0.8623 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7100 -0.4260 0.3587 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2688 0.0802 -0.2826 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-1.7064 -1.4690 -0.6233 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3197 -1.9401 0.6808 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3290 -3.0232 0.4807 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7542 -4.2525 -0.1747 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7482 2.1572 -0.6314 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7085 2.8466 0.6919 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0250 4.3181 0.6125 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0872 5.0913 -0.2533 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2121 -1.8320 0.2576 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3236 -0.7281 1.0753 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9534 -1.3135 0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5890 0.4097 0.4608 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7334 -2.1984 1.8303 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7079 -3.7352 1.5167 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9319 -3.7752 1.5201 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8720 -2.7295 -0.5762 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3688 -3.6380 -0.8105 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5292 -0.6476 -0.1486 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0999 -1.4670 -1.6775 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2272 -2.5394 -0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5202 -1.8967 0.9251 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6028 0.9581 -2.1169 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6961 -0.3097 -2.9652 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5067 -2.0436 -1.3319 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9197 -1.2134 -2.0262 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9158 0.3662 -0.0619 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5190 -0.4975 0.6302 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3698 -1.5886 1.7144 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3622 -1.4830 0.1693 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9729 -2.6620 0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3632 2.0697 -1.3277 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1693 2.8462 -0.6671 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4321 2.1297 1.5968 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9118 1.3807 0.9751 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7726 3.5769 0.2191 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3351 3.6227 1.9758 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6651 5.6373 0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3514 4.8890 1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4325 4.7287 -0.1769 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2583 -2.6568 -0.4843 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0443 -2.5010 -0.3169 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9697 -2.0294 1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3750 0.0720 0.2803 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6505 -0.4875 -1.4167 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5047 0.7728 -1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1953 -0.9283 -1.6434 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7561 -1.4467 0.7806 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0975 0.2711 1.1111 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2009 -2.3706 -1.0783 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4730 -1.0530 -1.3073 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8388 -1.0761 1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5304 -2.2449 1.3927 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6505 -3.3485 1.5129 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2531 -2.6570 -0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6517 -4.2711 -0.1615 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1034 -4.2427 -1.2428 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1132 -5.1770 0.3084 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7503 2.1807 -1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0098 2.5278 -1.3549 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4963 2.3857 1.3336 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2660 2.6498 1.1748 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9311 4.7256 1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0665 4.4850 0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9667 4.8651 -0.0326 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2835 4.9550 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2398 6.1712 -0.0387 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