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
5.9578 0.8179 -0.2877 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6421 0.3685 0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5443 0.8234 -0.6221 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2645 0.4304 -0.1035 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0931 0.7148 -0.7608 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1808 1.3437 -1.8543 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2309 0.3459 -0.2908 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4400 -0.3177 0.8473 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7903 -0.6683 1.2817 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9166 -1.2930 2.3626 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9008 -0.3429 0.5604 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2270 -0.6578 0.9355 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1664 -0.1231 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0075 1.3763 -0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8052 -0.7425 -1.4618 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7499 -0.6871 1.6566 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6359 -1.1554 0.3241 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2184 0.0906 -1.1078 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7593 0.7333 0.4775 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8929 1.8262 -0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5297 0.7838 1.3249 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5274 1.8993 -0.7879 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6240 0.3198 -1.6060 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1071 0.6057 -0.8652 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4296 -0.0492 1.8640 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3951 -1.7118 1.1485 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2265 -0.3307 0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6131 1.7851 0.7297 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9788 1.8312 -0.5182 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2667 1.5808 -1.0492 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0914 -0.0676 -1.9864 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7436 -0.9032 -2.0283 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2523 -1.6820 -1.2596 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2421 0.2418 1.9795 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4029 -1.3791 1.0806 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3695 -1.2461 2.5606 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5459 -1.5080 -0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7903 -1.5500 0.9011 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6177 -1.5031 0.7612 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