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
-2.7954 0.5020 0.1931 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.7671 -0.3451 -0.1705 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8004 -0.8627 -1.3076 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6863 -0.6057 0.7754 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5800 0.0653 0.4318 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6422 -0.6738 0.2196 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6857 1.5213 0.3225 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3290 2.2202 0.5253 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8835 2.1330 -0.0002 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.2885 -2.0788 0.8781 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3128 -1.8995 -0.2552 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1243 -1.0603 0.1626 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1615 -0.8951 -0.9906 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5085 0.2975 -0.3659 Sn 0 0 0 0 0 3 0 0 0 0 0 0
0.4029 2.4261 -0.6588 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3000 3.1039 0.4956 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3362 4.5824 0.2241 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0196 5.3571 1.3200 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4472 -0.6219 -0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3465 -2.0845 0.0631 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7768 -2.6218 0.0497 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8449 -4.0690 0.4242 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1349 4.2147 -0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7747 2.8236 0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5064 2.8247 0.8544 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1865 1.4130 1.2765 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1065 0.1543 -0.4428 Sn 0 0 0 0 0 3 0 0 0 0 0 0
2.0804 0.2526 -1.3441 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0173 -0.3360 -0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4485 -0.3330 -0.7754 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2946 -0.9277 0.3321 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7427 -1.8265 -0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2597 -1.7467 -0.2179 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7584 -3.1755 -0.1628 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2551 -3.1635 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5079 -1.7082 0.7625 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0300 -0.3432 1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5539 -1.7332 0.3031 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5708 -0.1701 -0.0336 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3277 -2.0142 0.4786 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2083 -3.0869 1.3502 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1532 -1.3150 1.6865 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8224 -1.4461 -1.1292 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0003 -2.9144 -0.5751 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5713 -1.5791 0.9676 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4240 -0.0858 0.5423 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7285 -0.4057 -1.8104 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8541 -1.8974 -1.3357 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4083 2.8754 -0.7909 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1340 2.5795 -1.6171 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3678 2.7521 0.4693 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0960 2.8216 1.4674 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7012 4.9882 0.1293 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9037 4.7348 -0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5859 5.0818 2.3202 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1036 5.2386 1.3293 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7914 6.4357 1.1959 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8911 -0.6008 -1.3509 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1102 -0.1286 0.3837 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6980 -2.6528 -0.6493 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9908 -2.2121 1.1065 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3410 -1.9672 0.7579 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1819 -2.4079 -0.9705 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9605 -4.6441 0.1354 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7914 -4.4781 -0.0365 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0220 -4.1076 1.5365 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6748 4.4937 -1.3928 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2484 4.2519 -0.5043 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8361 4.9942 0.3147 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5856 2.2247 -0.8981 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5912 2.4142 0.6333 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3319 3.2982 0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7019 3.4056 1.7698 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0473 1.0660 1.8971 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7048 1.4022 1.9361 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3447 1.2799 -1.5876 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1289 -0.4296 -2.2197 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6584 -1.3418 -0.0046 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9976 0.2768 0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4728 -0.9689 -1.6880 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7370 0.6992 -0.9903 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0863 -1.6011 -0.0615 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6774 -1.5429 1.0316 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7303 -0.0970 0.9395 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3032 -2.3280 0.5291 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4741 -2.4110 -1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7138 -1.1468 -1.0019 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5017 -1.2646 0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4587 -3.7432 -1.0653 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2575 -3.6534 0.7041 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4884 -2.7541 0.9787 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6549 -2.5005 -0.8271 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6614 -4.1979 -0.1069 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