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
2.8416 0.0907 1.2362 O 0 0 0 0 0 1 0 0 0 0 0 0
1.7013 0.3248 0.4763 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6250 1.2416 -0.3618 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5549 -0.5727 0.7022 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5471 -0.1387 -0.1896 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0223 -0.9738 -1.1146 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0864 1.1965 -0.0266 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5885 1.9197 0.8654 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1216 1.6685 -0.8282 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.7036 0.1517 -0.6024 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2056 1.2262 0.3354 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8058 0.9066 0.8124 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9134 0.8328 -0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1115 0.3842 0.1354 Sn 0 0 0 0 0 3 0 0 0 0 0 0
0.9301 -1.6019 -0.1196 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1660 -2.4740 -0.6262 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2405 -3.8996 -0.8584 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7375 -4.6002 0.3621 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5130 2.0113 0.1984 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6946 1.6736 1.0842 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6150 2.8849 1.0561 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0864 3.1856 -0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5142 4.6835 -0.4601 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4407 4.2528 0.6138 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7931 2.7636 0.5004 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4632 1.9276 0.6258 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0005 -0.1413 0.4718 Sn 0 0 0 0 0 3 0 0 0 0 0 0
1.4337 -1.6162 -0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8554 -1.1588 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8270 -2.2553 -0.1977 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2557 -1.8472 0.0692 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0127 -0.7648 0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6328 -1.4941 -0.2558 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0281 -1.8870 0.1632 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7709 -2.6234 -0.9236 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8428 -1.6043 0.4263 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2131 -0.5308 1.7748 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6027 -1.9593 -1.2086 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8101 -0.6622 -1.7517 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7970 0.3241 -0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2109 0.2642 -1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5723 -0.8633 -0.1933 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2492 2.1928 -0.1827 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9112 1.2760 1.1865 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4452 1.6487 1.5488 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8653 -0.0700 1.3331 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2854 -0.0515 -0.9996 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0014 1.6959 -1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7608 -1.5286 -0.8732 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3944 -1.9592 0.8145 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5098 -2.0647 -1.5980 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0250 -2.4055 0.0725 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6712 -4.4413 -1.2155 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9527 -3.9314 -1.7089 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4424 -4.0524 1.2738 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3701 -5.6658 0.4247 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8567 -4.6800 0.2707 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9106 2.1322 -0.8358 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0137 2.9277 0.5725 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3391 1.5052 2.1059 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2307 0.8181 0.6707 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0682 3.7871 1.4452 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4426 2.7049 1.7573 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1807 3.4173 -0.3582 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5097 4.0225 -0.7633 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9374 2.3159 -1.0187 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1522 5.6504 -0.9109 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6294 3.9367 -1.2586 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5421 4.8699 -0.0583 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0818 4.4049 1.6032 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3630 4.8666 0.6182 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2943 2.6489 -0.4721 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5124 2.5691 1.3184 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9003 2.1491 1.6235 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1309 2.2404 -0.2087 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3264 -1.9286 -1.1321 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2634 -2.5260 0.5348 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0652 -0.2983 -0.4539 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0068 -0.9004 1.2613 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7418 -2.4638 -1.2837 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6464 -3.1833 0.4187 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2880 -0.7342 0.1103 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5754 -2.2131 1.0867 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9628 -2.2062 -0.6853 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9158 -1.5184 1.7541 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6626 0.0735 1.1804 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6515 -0.8494 -1.1529 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0674 -2.4210 -0.4729 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9367 -2.5666 1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5818 -0.9610 0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9897 -1.9863 -1.7963 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2621 -3.5580 -1.2294 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7470 -2.9342 -0.4873 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