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
2.7041 -1.3686 0.7365 O 0 0 0 0 0 1 0 0 0 0 0 0
1.4115 -1.1296 0.2974 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7402 -2.1126 -0.0936 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9204 0.2637 0.3225 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4559 0.3992 -0.1624 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7524 1.1494 -1.2054 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5236 -0.3104 0.5218 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7348 -0.2320 0.1481 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2519 -1.0971 1.6067 O 0 0 0 0 0 1 0 0 0 0 0 0
5.1138 -0.2616 0.7833 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7025 0.1490 -0.6267 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2375 -0.1888 -0.8087 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4746 0.5960 0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3623 0.2145 0.1047 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-0.9683 1.8737 0.3927 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1635 1.7990 -0.5326 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0254 3.0025 -0.2486 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2980 4.2986 -0.4854 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3323 -1.7155 0.7359 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5590 -2.1444 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9588 -3.5064 0.4835 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1819 -4.0520 -0.2144 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9523 -0.4379 0.1693 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2203 -1.6096 -0.4890 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7480 -1.4906 -0.1475 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1849 -0.1715 -0.6681 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1066 -0.0995 -0.1364 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-0.9717 -1.9558 -0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3960 -1.7757 0.2774 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0464 -3.1612 0.1823 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4667 -3.0285 0.6486 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9452 1.7555 0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1620 2.8326 -0.6243 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8455 4.1814 -0.5356 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0553 4.6386 0.8775 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0377 0.6220 1.3844 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6365 0.8787 -0.2635 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7637 1.2487 -1.5614 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0320 1.6884 -1.7312 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8829 0.5235 1.5135 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5757 -1.2090 0.9968 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2032 -0.4770 0.8373 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3464 -0.2789 -1.3977 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7508 1.2772 -0.6216 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9443 0.2700 -1.7961 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0270 -1.2595 -0.7771 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7076 1.6625 0.0758 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8314 0.3243 1.2546 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3620 1.8099 1.4266 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4532 2.8194 0.1798 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8225 1.8702 -1.5858 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7627 0.8937 -0.4052 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9509 3.0196 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3348 2.9504 0.8048 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5514 4.5347 0.2981 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7617 4.3133 -1.4581 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0713 5.1090 -0.4378 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4353 -2.4931 0.5825 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5797 -1.6343 1.8144 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2581 -2.2805 -1.0987 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3938 -1.4366 0.0348 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1774 -3.4706 1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1409 -4.2318 0.3101 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7158 -4.7282 0.5156 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8498 -3.2221 -0.5076 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9222 -4.7206 -1.0697 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7944 0.4852 -0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0326 -0.6916 0.2828 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5348 -0.3439 1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6566 -2.5211 -0.0366 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4003 -1.6377 -1.5627 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2307 -2.3541 -0.6083 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6231 -1.5899 0.9498 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7511 0.6871 -0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2094 -0.2591 -1.7939 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5041 -2.6977 0.5081 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9700 -2.3854 -1.2224 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9481 -1.0454 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4013 -1.4923 1.3501 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0423 -3.4656 -0.8907 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4583 -3.9052 0.7282 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4868 -3.1928 1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0787 -3.7506 0.0769 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8032 -1.9764 0.4415 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9315 1.6165 -0.4708 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2015 1.9972 1.0983 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8275 2.8978 -0.1266 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0767 2.5898 -1.6989 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8494 4.0438 -1.0226 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2572 4.9513 -1.0732 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6881 3.9023 1.6162 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5442 5.6123 1.0912 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1424 4.8478 1.0632 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