Monomers
bis(2-methylpropyl) (Z)-2-methylbut-2-enedioate
Identifiers
IUPAC name
bis(2-methylpropyl) (Z)-2-methylbut-2-enedioate
InchI
InChI=1S/C13H22O4/c1-9(2)7-16-12(14)6-11(5)13(15)17-8-10(3)4/h6,9-10H,7-8H2,1-5H3/b11-6-
InchI Key
GSWRSQKYPYOMBE-WDZFZDKYSA-N
SMILES
CC(COC(=O)/C=C(\C(=O)OCC(C)C)/C)C
Canonical SMILES
CC(C)COC(=O)C=C(C)C(=O)OCC(C)C
Isomeric SMILES
CC(C)COC(=O)/C=C(/C)\C(=O)OCC(C)C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C13H22O4
Heavy Atom Count
17
Molecular Weight
242.315
Exact Molecular Weight
242.1518
Valence Electrons
98
Radical Electrons
0
tPSA
52.6
MolLogP
2.3311
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
39 38 0 0 0 0 0 0 0 0999 V2000
5.8447 -1.0636 0.6263 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5530 -0.2480 0.4209 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4956 -1.0854 -0.1988 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3039 -0.4603 -0.4012 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8034 0.4771 -1.1978 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5226 1.0102 -2.0695 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4147 0.9107 -1.0835 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4095 0.3974 -0.1892 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7969 0.8665 -0.1135 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2319 1.7539 -0.8838 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6449 0.3452 0.7993 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9619 0.5657 1.0989 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0079 0.2472 0.1085 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9883 0.9444 -1.1995 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1030 -1.2680 -0.1189 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0631 -0.6530 0.7403 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8436 1.0021 -0.3127 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5562 -2.0269 1.0459 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4292 -0.4965 1.3742 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4076 -1.1526 -0.3024 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2338 0.0074 1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9105 -1.5532 -1.1558 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3754 -2.0046 0.4781 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0295 1.6893 -1.7578 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1468 1.6205 1.4728 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1909 -0.0740 2.0151 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0050 0.5033 0.5848 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3220 0.4619 -1.9503 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8757 2.0287 -1.1505 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0202 0.8135 -1.6869 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1937 -1.6383 -0.6458 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0305 -1.4918 -0.6817 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2057 -1.7546 0.8654 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3675 -1.5875 0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8016 -0.9537 1.3756 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8542 -0.2401 1.4056 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1116 1.8153 -0.1751 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0237 0.8365 -1.3814 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7923 1.4555 0.1402 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 2 3
8 9 1 0
9 10 2 0
9 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
13 15 1 0
8 16 1 0
2 17 1 0
1 18 1 0
1 19 1 0
1 20 1 0
2 21 1 0
3 22 1 0
3 23 1 0
7 24 1 0
12 25 1 0
12 26 1 0
13 27 1 0
14 28 1 0
14 29 1 0
14 30 1 0
15 31 1 0
15 32 1 0
15 33 1 0
16 34 1 0
16 35 1 0
16 36 1 0
17 37 1 0
17 38 1 0
17 39 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers