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
2.6125 0.3755 1.1349 O 0 0 0 0 0 1 0 0 0 0 0 0
1.7636 0.2393 0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9072 0.9930 -0.9796 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7209 -0.8086 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5942 -0.1113 -0.1068 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3510 -0.4135 -1.1398 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0040 0.8959 0.8686 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0782 1.5189 0.7899 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1707 1.1906 1.9449 O 0 0 0 0 0 1 0 0 0 0 0 0
4.6682 -1.9585 0.5639 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6864 -1.0024 -0.1003 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7551 -1.8426 -0.9425 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7234 -1.0099 -1.6613 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4991 0.0875 -0.2856 Sn 0 0 0 0 0 3 0 0 0 0 0 0
0.1382 2.1950 -0.5815 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3255 2.7327 0.7316 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6296 4.2031 0.7206 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7004 4.5863 -0.2437 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9051 -0.9991 0.9205 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9785 -1.5354 0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0062 -2.3164 0.8076 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0699 -2.8418 -0.1289 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3114 -1.3345 0.1492 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8982 -1.8260 -0.0679 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8757 -0.7467 0.2223 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5133 -1.3570 -0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0608 0.0483 0.3378 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-2.0753 -0.5571 -0.0769 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0606 -1.6214 -1.1213 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4340 -2.1198 -1.4879 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0543 -2.6851 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2509 1.6577 1.7382 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1705 2.9816 0.9872 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1729 3.1182 0.3528 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2327 4.4401 -0.3885 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8690 -1.6124 -0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6772 -1.2187 1.1298 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3061 0.1078 -1.2691 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0463 -1.1566 -1.8585 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8849 -2.7544 -0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5960 -1.4220 0.8593 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1888 -2.3834 1.4739 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2420 -0.3299 -0.7623 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1715 -0.4081 0.6527 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2204 -2.6127 -0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3466 -2.3657 -1.7197 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0522 -1.7210 -2.1909 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1644 -0.3626 -2.4356 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0595 2.6678 -0.9561 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6803 2.2480 -1.3538 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4391 2.4969 1.4988 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2332 2.1489 1.0276 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9587 4.4788 1.7437 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3348 4.7506 0.5532 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6906 4.7254 0.2774 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4224 5.5972 -0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8646 3.8853 -1.0659 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4265 -1.8145 1.4834 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3577 -0.3116 1.6821 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4620 -0.7250 -0.5478 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4930 -2.2539 -0.6844 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4597 -1.7144 1.6113 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4836 -3.1673 1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0227 -2.2850 -1.0998 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9181 -3.9336 -0.3083 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0825 -2.7323 0.3127 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8662 -2.1507 0.6567 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2665 -0.4010 0.7502 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7384 -1.1519 -0.8686 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6670 -2.6950 0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7436 -2.1932 -1.0907 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9643 -0.3137 1.2177 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0145 0.0252 -0.5865 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4161 -1.6808 -1.0846 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3285 -2.2350 0.6252 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6410 0.3180 -0.5092 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5378 -0.9161 0.8683 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5710 -1.2038 -2.0326 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4050 -2.4825 -0.8027 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3387 -2.9588 -2.2040 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0210 -1.2952 -1.8996 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3019 -3.2482 0.3493 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3471 -1.7984 0.4001 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9167 -3.3096 -0.5053 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2256 1.5455 2.2500 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5410 1.6828 2.5115 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9585 3.0094 0.2113 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3319 3.8199 1.6743 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2961 2.3066 -0.3866 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9638 3.0596 1.1521 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6167 4.3174 -1.3093 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6919 5.2163 0.2186 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2610 4.7347 -0.6151 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