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
3.1377 0.1734 -0.2994 O 0 0 0 0 0 1 0 0 0 0 0 0
1.8176 0.2545 0.1074 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5617 0.7767 1.2219 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6941 -0.2593 -0.7384 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6034 -0.0477 -0.0689 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5125 0.6945 -0.6636 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8954 -0.6399 1.2279 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9996 -0.4638 1.8047 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0240 -1.4313 1.9025 O 0 0 0 0 0 1 0 0 0 0 0 0
-2.8555 -3.4039 -0.4355 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5933 -2.6565 -0.0734 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9504 -1.5634 0.9106 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7432 -0.7650 1.3264 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1729 0.1727 -0.3968 Sn 0 0 0 0 0 3 0 0 0 0 0 0
1.7994 -0.8717 -1.3228 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1433 -0.4101 -0.7675 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2307 -0.6535 0.7169 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5739 -0.1830 1.2239 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0519 1.5175 -1.5358 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7534 2.9605 -1.1936 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0029 3.2544 0.2624 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4184 3.0082 0.6725 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4902 -4.0461 0.9604 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9340 -3.2869 -0.2072 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8308 -2.3390 0.1987 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3365 -1.6208 -1.0519 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2381 -0.2480 -0.5680 Sn 0 0 0 0 0 3 0 0 0 0 0 0
2.2158 -1.0418 -0.2971 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2105 0.1226 -0.2486 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6085 -0.4571 -0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6491 0.6258 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1654 1.6470 0.3045 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4522 2.2688 -0.2462 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6002 3.5930 0.4605 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8271 4.3490 0.0359 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8912 -1.3460 -0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6992 0.2467 -1.7231 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4896 0.8988 -0.2399 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3249 1.1433 -1.6191 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7712 -4.4827 -0.1645 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0563 -3.3223 -1.5439 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7544 -3.0114 0.0605 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2066 -2.1597 -0.9836 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8140 -3.3272 0.3046 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3517 -2.0512 1.8059 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7169 -0.9155 0.4491 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1073 0.0444 1.9985 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0294 -1.3815 1.8692 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7760 -0.8139 -2.4215 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7566 -1.9748 -1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9076 -1.0339 -1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3147 0.6379 -1.0433 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1250 -1.7280 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4407 -0.0859 1.2566 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9901 -0.8397 2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2844 -0.1970 0.3475 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5087 0.8475 1.6241 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1269 1.3480 -1.3556 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8687 1.3181 -2.6100 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4897 3.5704 -1.7706 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2404 3.2928 -1.5122 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3496 2.6462 0.9235 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7821 4.3273 0.4366 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5199 2.2054 1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8982 3.9184 1.1318 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0526 2.7622 -0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3051 -3.4668 1.4571 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6773 -4.2330 1.6997 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9316 -5.0244 0.6378 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7203 -2.6831 -0.7023 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4929 -4.0061 -0.9252 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0166 -2.9599 0.6247 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2061 -1.5817 0.9028 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9387 -2.4067 -1.7476 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1803 -1.1162 -1.5429 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2363 -1.4673 0.7493 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4891 -1.7794 -1.0487 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0204 0.7630 0.6214 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1470 0.7416 -1.1657 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8751 -1.1543 -0.8735 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5921 -0.9997 0.9079 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6395 0.1523 -0.1581 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5079 1.3729 -0.8138 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6710 1.0949 1.0055 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2443 1.6241 1.4053 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6533 2.3490 -0.0303 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2659 1.5606 0.0089 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3861 2.3509 -1.3353 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6848 4.1815 0.2292 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6851 3.3804 1.5454 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7275 3.9552 0.5444 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9610 4.3838 -1.0623 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6940 5.4015 0.3645 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