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
-6.0690 0.3763 0.5384 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6668 0.0361 0.0602 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9873 -0.9183 0.9955 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7022 -1.2309 0.5529 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7302 -0.2616 0.4354 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0183 0.9153 0.7392 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3986 -0.5759 -0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5570 0.3017 -0.1566 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8958 -0.1196 -0.6412 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0969 -1.3190 -0.9226 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8925 0.7703 -0.7808 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1921 0.7216 -1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1015 -0.0464 -0.2658 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0497 0.5914 1.1353 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9322 -1.5061 -0.1796 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3290 1.7239 0.1739 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7320 -0.6375 -1.3039 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1248 0.4362 1.6471 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7976 -0.3589 0.1335 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3456 1.3725 0.1468 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1372 0.9764 -0.0753 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6306 -1.8272 1.1176 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9711 -0.4569 2.0073 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1886 -1.6202 -0.2829 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5811 1.7944 -1.1266 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3389 0.3872 -2.2422 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1915 0.1044 -0.6356 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0904 1.1723 1.2021 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8922 1.2691 1.3024 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9675 -0.2196 1.8886 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1980 -1.8479 0.5889 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9276 -1.9515 0.1266 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6650 -1.9584 -1.1325 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0026 1.9096 1.2117 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4728 2.0946 -0.4974 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2417 2.3443 -0.0322 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6352 -1.2851 -1.3725 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6935 0.1127 -2.1163 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8419 -1.2691 -1.4042 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