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
-1.5221 0.4226 -1.5256 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.8470 0.0455 -0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0143 -0.0605 0.2022 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7382 -0.2543 0.7151 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5906 -0.0895 0.0734 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4258 -1.1072 -0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9576 1.2023 -0.4611 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0695 1.4264 -1.0227 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0918 2.2896 -0.3854 O 0 0 0 0 0 1 0 0 0 0 0 0
-0.6185 -4.7174 0.2098 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7759 -3.8656 -0.2885 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4916 -2.3966 -0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2567 -1.9453 -0.8225 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0072 0.1561 -0.4339 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-1.7639 1.3387 -0.1716 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4220 2.7723 0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7542 3.5027 0.3239 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4005 4.9496 0.6621 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8290 1.1237 -1.0187 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9188 0.8901 0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1718 -0.6033 0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2464 -0.9010 1.1419 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1058 -3.7035 -0.0568 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6513 -4.1095 -0.1743 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8208 -2.9270 0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1208 -1.7298 -0.6111 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0971 -0.1150 0.1098 Sn 0 0 0 0 0 3 0 0 0 0 0 0
2.1920 -0.4082 0.3172 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9562 0.9099 0.3109 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4240 0.5634 0.4642 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8241 -0.3134 -0.7007 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9238 1.5295 1.0378 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5035 2.3695 -0.0718 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2549 3.5709 0.4506 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7897 4.3369 -0.7366 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7456 0.4694 1.5828 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8601 -1.2660 1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3927 -0.9871 -0.4756 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1993 -2.0912 0.3748 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9709 -5.6416 0.7023 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0160 -5.0119 -0.6689 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0065 -4.0907 0.8827 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9776 -4.0488 -1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6497 -4.1146 0.3501 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4867 -2.1446 0.9844 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3510 -1.8462 -0.5429 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6298 -2.5211 -0.5229 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4793 -2.0306 -1.9182 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3610 0.8607 0.6341 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3472 1.3044 -1.1188 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8507 2.7724 1.1143 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8309 3.2048 -0.6397 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3165 3.1097 1.1951 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3037 3.4362 -0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2015 4.9977 1.7481 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4944 5.1885 0.0533 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2753 5.5553 0.3471 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6873 2.2218 -1.0829 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1455 0.7956 -2.0293 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5701 1.3101 0.9742 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8602 1.3759 -0.2996 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2280 -1.0507 0.4995 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4997 -0.9921 -0.8454 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1062 -0.2316 0.9513 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9401 -0.7383 2.1857 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5490 -1.9742 0.9813 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2264 -3.0548 0.8301 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3658 -3.1222 -0.9694 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6896 -4.6421 0.0133 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4181 -4.3151 -1.2341 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4148 -4.9938 0.4317 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2542 -3.1333 0.1846 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0150 -2.6719 1.3428 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8052 -2.0131 -1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1849 -1.4932 -0.6286 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5718 -0.9901 -0.5408 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3994 -0.9291 1.2698 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7955 1.4657 -0.6147 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6365 1.4982 1.1834 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5876 -0.0254 1.3912 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0559 1.4718 0.5533 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8455 -0.0348 -1.0412 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1421 -0.1809 -1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7578 -1.4049 -0.4394 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7530 1.1088 1.6379 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1968 2.0899 1.6583 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1696 1.7069 -0.6616 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6709 2.6569 -0.7471 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1521 3.1684 0.9888 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6295 4.1614 1.1185 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1353 4.2221 -1.6407 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8024 4.0606 -1.0272 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7398 5.4200 -0.4670 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