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
-2.0131 1.2302 1.5126 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.6030 0.0353 0.9722 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7439 -1.0346 1.5937 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9891 0.0358 -0.3634 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4968 -0.0089 -0.3049 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1637 0.9933 -0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2324 -1.0834 0.3134 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6262 -2.0288 0.8291 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5932 -1.0497 0.3252 O 0 0 0 0 0 1 0 0 0 0 0 0
5.0647 -1.5504 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6743 -2.0571 -0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6678 -0.9159 -0.2414 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3203 -1.5430 -0.4491 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2203 -0.1043 -0.6866 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-2.2653 -0.6979 -0.5727 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3576 -2.2085 -0.6675 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7954 -2.6781 -0.5911 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4544 -2.2764 0.6923 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2765 1.9753 -0.8754 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1661 2.6616 0.4235 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1952 4.1321 0.2677 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1798 4.9389 1.4684 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4468 -2.5214 0.4486 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1954 -3.0404 1.0897 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0047 -2.1773 0.6888 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3112 -0.7751 1.1712 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3206 0.5429 0.6536 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-0.0745 2.6547 0.7528 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7430 3.0629 -0.5403 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0310 2.3503 -0.7822 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0725 2.5653 0.2654 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3546 -0.1243 0.7533 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0251 0.2279 -0.5591 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4752 -0.2097 -0.5776 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6350 -1.6932 -0.3946 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3326 0.9392 -0.9021 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2977 -0.8370 -0.9745 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2574 1.0147 -0.8384 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6098 1.7939 -1.3118 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1485 -0.4591 0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4509 -1.9809 1.0786 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6912 -1.9534 -0.7166 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3144 -2.6822 0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5611 -2.6844 -0.9953 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8904 -0.2849 -1.1101 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6115 -0.2939 0.6682 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1227 -2.2536 0.3782 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3816 -2.1444 -1.3990 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8114 -0.1938 -1.3777 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7034 -0.3954 0.4177 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8806 -2.5179 -1.6086 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8127 -2.6404 0.1969 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8037 -3.7699 -0.7382 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3350 -2.1895 -1.4266 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2182 -1.4932 0.5636 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9566 -3.1795 1.1078 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6896 -1.8943 1.3882 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2702 2.4493 -1.7119 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3475 2.1279 -1.0544 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2532 2.5104 0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3464 2.1950 1.2736 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3674 4.5034 -0.6251 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2929 4.1519 0.0702 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7494 5.4225 1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6415 4.2556 2.2119 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9249 5.7184 1.1908 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8525 -1.6913 1.0601 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2115 -3.3425 0.5207 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2518 -2.2449 -0.6018 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3040 -2.9678 2.2110 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9862 -4.0864 0.8615 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0771 -2.5078 1.1711 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9207 -2.2091 -0.4012 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5005 -0.7685 2.2641 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2442 -0.4637 0.6688 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6905 2.8367 1.6325 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8688 3.2373 0.8484 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9454 4.1599 -0.5218 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0821 2.8748 -1.4097 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4391 2.7194 -1.7498 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8171 1.2544 -0.9516 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7345 1.6502 0.2569 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6950 2.7896 1.2657 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7776 3.4034 0.0048 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3726 -1.1923 0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8811 0.4003 1.5673 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0286 1.3281 -0.6961 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4980 -0.2994 -1.3667 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8811 0.0957 -1.5673 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0655 0.3347 0.2021 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4046 -2.0803 -1.0924 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9437 -1.9165 0.6435 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6545 -2.1769 -0.5869 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