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
-0.9401 -1.0738 1.9144 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.5685 -0.8160 0.7083 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7520 -1.1865 0.5464 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9159 -0.1163 -0.4238 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4778 0.2742 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7860 1.5540 -0.1651 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4924 -0.6899 0.2185 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2536 -1.9136 0.2753 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7667 -0.2532 0.4887 O 0 0 0 0 0 1 0 0 0 0 0 0
0.6315 4.7299 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7621 4.1835 0.3752 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8451 2.7563 -0.0668 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0943 1.8548 0.7074 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1064 -0.1584 -0.0050 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-1.8166 -1.2761 0.6484 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7460 -2.7111 0.1673 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9277 -3.5017 0.6126 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2353 -2.9739 0.1243 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1186 -0.9637 -1.5378 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5669 -0.5676 -1.3973 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1029 -1.0730 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5554 -0.6840 0.1055 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5867 -2.6074 0.9758 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4567 -2.2908 -0.4955 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4971 -1.1318 -0.6966 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1648 -1.5676 -0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3136 -0.0255 -0.3356 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-0.3914 1.4797 1.1927 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4827 2.6504 0.8705 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0562 3.3018 -0.4317 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9457 4.4835 -0.7485 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1093 -0.4835 -1.4091 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2913 -0.1603 -0.5298 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2470 -0.9809 0.7516 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2805 -2.4408 0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8988 -0.7549 -1.3265 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5212 0.7862 -0.6331 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0451 2.3204 -0.4182 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7750 1.8694 0.0468 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3289 4.4102 0.9848 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6463 5.8362 0.1754 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0239 4.2919 -0.7621 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4301 4.7761 -0.2834 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1302 4.3376 1.4079 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5358 2.7113 -1.1337 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8772 2.3812 0.0782 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1881 1.8405 1.7925 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1390 2.2116 0.6663 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8393 -1.2116 1.7501 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7086 -0.7510 0.2761 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6142 -2.7578 -0.9283 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8277 -3.1446 0.6113 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9738 -3.5822 1.7087 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8212 -4.5426 0.2218 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9846 -3.8090 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6504 -2.1542 0.7468 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2143 -2.6995 -0.9609 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0574 -2.0710 -1.5111 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7648 -0.6378 -2.5321 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1760 -1.0759 -2.1715 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7348 0.5060 -1.4846 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5257 -0.6218 0.7923 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9906 -2.1613 0.0352 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8577 -0.6499 1.1668 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2128 -1.4112 -0.4303 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7072 0.3638 -0.2819 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4817 -3.2175 1.1589 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6009 -1.6421 1.5275 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7124 -3.2023 1.2969 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9590 -3.1850 -0.9605 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4083 -2.1651 -1.0104 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4049 -0.9926 -1.8021 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8904 -0.2152 -0.2099 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2724 -1.7892 0.9349 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8799 -2.4946 -0.6735 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4221 1.8552 1.3574 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0556 1.0660 2.1685 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3227 3.4103 1.6629 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5558 2.4079 0.8812 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9881 3.6112 -0.4257 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2015 2.5633 -1.2384 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4154 5.2431 -1.3743 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1977 5.0136 0.2024 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8861 4.2108 -1.2329 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2096 0.1267 -2.3300 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1614 -1.5386 -1.7162 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1840 0.9144 -0.2336 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2550 -0.3009 -1.0194 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1530 -0.7484 1.3439 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3787 -0.7016 1.3704 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1339 -2.6101 -0.2823 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4541 -3.0738 1.2871 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3504 -2.7722 -0.0966 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