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
2.3775 1.0509 -1.0769 O 0 0 0 0 0 1 0 0 0 0 0 0
1.8207 0.0155 -0.3667 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4407 -0.4238 0.6193 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5344 -0.5721 -0.7395 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5738 -0.0451 0.1381 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2863 -0.8691 0.8778 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8680 1.3724 0.1796 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1787 2.1455 -0.5323 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8797 1.8345 0.9848 O 0 0 0 0 0 1 0 0 0 0 0 0
-3.6586 4.0817 -0.1759 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2075 3.7324 -0.0566 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9703 2.2228 -0.1088 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4739 2.0202 0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0567 -0.0434 -0.0295 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-1.4503 -1.5493 0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0618 -2.7337 -0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0677 -3.8583 -0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1887 -4.3754 0.8780 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0537 -0.6576 0.3401 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0697 0.4195 0.0884 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4289 -0.1929 0.4014 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5456 0.7868 0.1894 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0293 -2.6526 0.2154 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9058 -1.7486 -0.9932 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7834 -0.7473 -0.8289 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4993 -1.5268 -0.6517 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1913 -0.2524 -0.4055 Sn 0 0 0 0 0 3 0 0 0 0 0 0
1.9580 -0.6600 -1.5489 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7890 -1.7370 -0.9434 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2667 -1.4161 0.4499 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1028 -2.5318 1.0237 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1731 1.4415 0.8792 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0125 2.7443 0.1305 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0162 3.8529 1.1568 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1364 5.2147 0.5554 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5275 -1.6955 -0.6568 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2667 -0.3870 -1.8124 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0763 -0.4880 1.5025 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1048 -1.9384 0.8824 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1186 4.4103 0.7834 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2474 3.2319 -0.5431 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8154 4.9426 -0.8896 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8386 4.1392 0.9063 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6718 4.2364 -0.8874 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3450 1.8978 -1.0989 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5527 1.7329 0.6695 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0102 2.5090 -0.8635 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0977 2.5069 0.9412 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4559 -1.1924 0.0456 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3313 -1.9195 1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0782 -3.1298 -0.3647 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0223 -2.4219 -1.7010 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7415 -4.6593 -1.1955 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0343 -3.4850 -0.8943 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0220 -5.4885 0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1892 -4.1607 1.2979 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4362 -3.9510 1.5763 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1583 -0.9898 1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2910 -1.5009 -0.3616 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0415 0.7785 -0.9456 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8667 1.2616 0.7827 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4375 -0.5027 1.4765 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5538 -1.1104 -0.2098 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3079 0.2841 -0.4574 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2044 1.6814 -0.3582 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0714 1.0464 1.1273 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6264 -2.1302 1.0969 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0974 -2.9363 0.3956 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4769 -3.6072 0.0932 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7127 -2.4275 -1.8636 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8933 -1.2644 -1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7697 -0.1215 -1.7406 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9660 -0.1871 0.0996 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3884 -2.1828 -1.5118 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6169 -2.1003 0.3118 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6181 -1.0143 -2.5455 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5642 0.2502 -1.7189 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2703 -2.7036 -0.9637 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6983 -1.8521 -1.5727 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3551 -1.3207 1.0882 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8424 -0.4957 0.5157 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9110 -2.1679 1.6805 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5932 -3.1137 0.1946 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4960 -3.2612 1.6004 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6642 1.3809 1.6041 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1116 1.5299 1.4798 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7794 2.8879 -0.6532 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9977 2.6863 -0.3707 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9776 3.8005 1.6943 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7766 3.6412 1.8894 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1683 5.4745 0.2713 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1994 5.9548 1.3126 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5826 5.2998 -0.2905 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