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
4.7292 -1.0965 0.8246 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8408 -0.4065 -0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6438 -0.5988 -1.3775 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4181 -0.1876 -0.9426 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9044 1.0254 -0.6436 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 2.0215 -0.7778 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5357 1.2552 -0.1746 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3196 0.2625 -0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6718 0.5110 0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0289 1.6804 0.7034 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5569 -0.5241 0.6341 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8832 -0.3961 1.0769 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6560 0.4654 0.1175 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6204 -0.2073 -1.2483 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0889 0.5589 0.6208 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1174 -1.1339 -0.2998 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4036 0.9745 -0.4239 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7574 -1.0638 1.2635 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4875 -2.1613 0.6495 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0215 -0.5974 1.4955 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6877 -1.0125 -1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5523 -1.7128 -1.6045 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9223 -0.1827 -2.3977 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1958 2.2509 0.0443 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3532 -1.3957 1.1621 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9100 0.0237 2.1139 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2285 1.4771 -0.0065 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1724 -1.1560 -1.2642 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5527 -0.4543 -1.4374 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9374 0.4813 -2.0507 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4205 -0.4108 1.0364 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7165 0.8657 -0.2295 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1227 1.3215 1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3950 -1.2839 -1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7155 -1.8243 -0.0801 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9350 -1.3726 0.4199 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5230 0.8949 -0.3257 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0025 1.5831 0.4129 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2281 1.5256 -1.3675 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