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
4.3861 1.1980 -1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4235 0.3897 -0.1989 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1109 0.2552 -0.9294 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1480 -0.4732 -0.2368 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2328 -1.7807 0.1776 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3555 -2.3400 -0.1424 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2620 -2.5612 0.8923 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9119 -2.2837 1.3334 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5809 -1.0088 1.1977 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7624 -0.8806 1.6940 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0934 0.0918 0.5931 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5595 1.3447 0.3598 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7347 1.5466 -0.5428 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4283 0.9804 -1.9167 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0363 1.1194 -0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6804 -3.3614 2.0586 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2237 1.2075 1.0845 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3162 0.8864 -2.1301 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4450 1.0183 -0.7229 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1484 2.2758 -1.0179 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8740 -0.5837 0.0818 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7182 1.2894 -1.0643 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3110 -0.1245 -1.9525 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5817 -3.6313 1.1168 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9003 1.8074 1.3589 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7147 2.0430 0.0709 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8326 2.6830 -0.7683 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3070 0.9147 -2.5643 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6059 1.5877 -2.3411 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0384 -0.0538 -1.7415 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2774 0.0680 -0.2607 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8413 1.6974 -0.5661 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1630 1.2752 1.0726 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2954 -3.8832 1.2914 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3708 -2.9329 2.7946 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0103 -4.0676 2.5594 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3945 2.2876 0.8761 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0125 0.8918 1.7832 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2006 1.1075 1.4679 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