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
2.9777 0.3352 -0.0354 O 0 0 0 0 0 1 0 0 0 0 0 0
1.8045 -0.4147 -0.2346 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6719 -1.1840 -1.2065 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6587 -0.2997 0.7344 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6049 0.0699 0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6392 -0.7207 0.1422 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6895 1.3269 -0.6342 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3116 2.0695 -0.6885 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8621 1.7155 -1.2470 O 0 0 0 0 0 1 0 0 0 0 0 0
-3.4896 -3.0588 1.0059 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4147 -2.7128 -0.4499 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0529 -2.1439 -0.7884 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8319 -0.8940 0.0388 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0511 0.0095 -0.3399 Sn 0 0 0 0 0 3 0 0 0 0 0 0
1.8122 -1.0594 -0.8446 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8832 -0.9351 0.2367 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1226 -1.6887 -0.1208 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1177 -1.5061 1.0041 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1559 2.1686 -0.1868 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1489 2.7068 -0.7359 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2162 4.2026 -0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0926 4.7541 0.7054 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5312 0.2505 0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3061 0.6571 -0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0561 0.0356 -0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8930 0.5419 -0.8789 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1184 -0.3629 -0.0256 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-1.3702 0.9227 0.7808 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6130 2.1055 -0.1395 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6759 3.0052 0.4556 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9506 4.1865 -0.4159 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2865 -2.4293 0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0657 -3.0237 0.8554 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9412 -2.9071 -0.3908 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3159 -3.4832 -0.1446 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9376 0.5037 1.4589 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5866 -1.2660 1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5600 -1.6513 0.6864 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5928 -0.4842 -0.3277 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1114 -2.3715 1.6025 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9324 -4.0805 1.1211 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4682 -3.0605 1.4378 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7086 -3.5319 -1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1640 -1.8901 -0.6271 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3012 -2.8962 -0.4287 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9550 -1.9321 -1.8601 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6635 -0.1902 -0.2575 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9749 -1.0868 1.1202 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2574 -0.5613 -1.7559 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6509 -2.0981 -1.1159 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1370 0.1369 0.2901 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4933 -1.2862 1.1947 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5872 -1.2858 -1.0467 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9442 -2.7900 -0.2004 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8787 -0.5897 1.6059 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1284 -2.3890 1.6888 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1459 -1.3690 0.5843 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0402 2.5540 -0.6956 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2412 2.3807 0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9578 2.2284 -0.1465 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3109 2.3952 -1.7875 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2134 4.5007 -1.0752 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4463 4.6120 -1.3716 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7643 4.1989 1.3685 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0264 4.7449 1.0394 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4019 5.8145 0.7063 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1385 -0.4015 -0.5259 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2739 -0.3024 1.0868 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1269 1.1335 0.4764 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2119 1.7607 -0.6381 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3386 0.3270 -1.6715 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8827 0.2946 1.0353 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0579 -1.0584 -0.1117 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8310 1.6288 -0.8843 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0204 0.0910 -1.8707 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2942 0.4130 1.0485 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9500 1.3694 1.7293 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9776 1.7719 -1.1361 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7138 2.7134 -0.2741 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2849 3.3522 1.4343 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6072 2.4272 0.5842 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9895 4.5525 -0.1908 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9330 3.8832 -1.4898 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2725 5.0378 -0.2634 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0105 -2.5637 1.3537 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7061 -2.9610 -0.3459 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5472 -2.5441 1.7121 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9047 -4.1035 1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0114 -1.8419 -0.7113 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5025 -3.4668 -1.2319 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7479 -3.7237 -1.1418 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9539 -2.8123 0.4457 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1668 -4.4759 0.3646 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