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
5.6271 -0.7521 -0.2115 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2531 0.6772 -0.5335 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8465 0.9155 -0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9587 0.0351 -0.7349 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5629 0.1195 -0.4203 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2771 0.9743 0.4148 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6815 -0.7945 -1.1119 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5859 -0.8670 -0.9636 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4492 -0.1207 -0.1302 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0646 0.7799 0.6334 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8550 -0.3502 -0.1029 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6176 0.4379 0.7519 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0768 0.1399 0.7251 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3954 -1.2847 1.1191 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7547 1.1247 1.6885 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2707 -1.9301 -1.8264 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2250 1.6762 0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6708 -0.9232 0.8806 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8329 -1.3983 -0.6448 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6032 -1.0167 -0.6628 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2313 0.7353 -1.6615 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4932 1.9454 -0.2763 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7376 0.7724 1.0285 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1895 -1.4980 -1.8456 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4875 1.4999 0.4385 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1963 0.3759 1.7759 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5018 0.3108 -0.2652 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7812 -1.6079 1.9824 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1385 -1.9353 0.2547 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4452 -1.4214 1.3741 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6428 2.1212 1.2217 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2265 1.1571 2.6634 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8149 0.8478 1.8559 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5811 -2.7248 -2.1061 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6522 -1.4180 -2.7339 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0759 -2.3820 -1.2247 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6818 2.4648 0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8247 2.1186 -0.8203 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9169 1.1955 0.7541 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