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
3.1320 -0.2131 -0.3534 O 0 0 0 0 0 1 0 0 0 0 0 0
1.7741 -0.4496 -0.4488 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4139 -1.4247 -1.1411 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8682 0.4481 0.2592 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5466 0.1548 0.1255 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3414 1.0667 -0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1503 -1.1024 0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4535 -2.0194 1.0578 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5056 -1.3587 0.4065 O 0 0 0 0 0 1 0 0 0 0 0 0
5.6037 0.1486 -0.2012 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4981 0.1920 0.8045 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1415 -0.0022 0.1704 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0843 0.0569 1.2644 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1313 -0.2141 0.4166 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-0.4626 -2.2141 -0.0699 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9598 -2.3258 -0.2362 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2590 -3.7737 -0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7090 -4.0472 -0.7726 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7064 1.4112 -0.7036 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4177 2.3942 0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9708 3.4969 -0.6794 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7064 4.5371 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3320 -0.3218 -0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4841 -1.2107 0.6454 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5927 -2.1265 -0.1314 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6258 -1.3586 -1.0195 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3552 -0.0704 0.0943 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-1.5717 -0.6482 0.8024 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2402 -1.6476 -0.1152 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5997 -1.9599 0.5235 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3580 -2.9653 -0.3306 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2088 1.7502 0.8923 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7457 2.9281 0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7605 3.0311 0.0765 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1754 4.2112 -0.7712 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0793 1.4762 -0.1198 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1101 0.4611 1.3533 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9707 2.0387 -0.7449 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4093 0.9222 -0.5364 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8452 1.1637 -0.5782 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3673 -0.4723 -1.0888 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5020 -0.2866 0.2787 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4936 1.2068 1.2597 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6921 -0.5446 1.6009 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9439 0.8552 -0.5054 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0425 -0.9589 -0.3685 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1198 1.0026 1.8198 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2927 -0.7667 1.9948 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0344 -2.5798 -0.9893 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1721 -2.8823 0.7641 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3741 -1.6140 -0.9514 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4003 -2.0893 0.7766 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6331 -4.0495 -1.4653 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9018 -4.3884 0.2883 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7986 -4.9206 -1.4798 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2652 -3.2249 -1.2508 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1750 -4.3769 0.1736 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4622 1.0502 -1.4389 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0854 1.9882 -1.2349 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2715 1.8558 0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7400 2.8661 0.9298 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1293 4.0136 -1.1872 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7023 3.0828 -1.4276 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1504 4.7757 1.0798 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7325 4.1751 0.3782 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7779 5.4593 -0.4882 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7694 0.3714 -0.8479 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0111 -0.9858 -0.8118 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9927 0.2612 0.4627 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8763 -0.6002 1.3635 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1667 -1.8418 1.2503 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0239 -2.7398 0.5965 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2056 -2.7615 -0.7872 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2808 -0.7354 -1.6971 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0753 -2.0451 -1.6904 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5079 -1.1029 1.7987 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2410 0.2379 0.8558 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4801 -1.1459 -1.0774 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6782 -2.5814 -0.2323 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2279 -1.0460 0.5532 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4840 -2.3070 1.5686 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3711 -2.6123 -0.5971 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7950 -3.1343 -1.2756 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4865 -3.9270 0.2093 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8471 1.9249 1.9288 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3086 1.7013 0.9205 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0526 2.7917 -1.0062 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1711 3.8467 0.4894 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2116 2.0870 -0.3243 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1528 3.1307 1.1105 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8268 4.9016 -0.1927 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6755 3.8982 -1.7167 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2817 4.8021 -1.0858 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