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
4.3306 -1.3116 -0.6501 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8939 0.0533 -0.6667 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2712 1.1096 0.1638 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9795 1.4767 -0.0267 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8319 0.7651 0.1678 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9422 -0.4036 0.5964 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5042 1.3498 -0.1164 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5716 0.6382 0.0821 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8984 1.2192 -0.2008 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0368 2.3920 -0.6327 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0621 0.4920 -0.0013 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3560 1.0514 -0.2747 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3441 -0.0560 0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0092 -1.2315 -0.8229 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1015 -0.5079 1.5045 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4917 -0.7386 0.5847 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3675 -0.0773 -0.2187 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2337 -1.7315 0.3763 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4564 -1.4945 -1.2931 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1347 -1.9845 -1.1245 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9447 0.3702 -1.7603 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4990 0.8571 1.2652 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9514 2.0240 0.0359 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4896 2.3724 -0.4872 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5724 1.8960 0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4856 1.2958 -1.3284 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3913 0.2831 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7282 -2.1391 -0.2436 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8982 -1.4118 -1.4657 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1581 -1.0259 -1.4999 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0138 -1.6164 1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9399 -0.2341 2.1769 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1619 -0.0978 1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0360 -1.4495 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0630 -0.7573 1.6215 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5524 -1.1010 0.7371 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8259 -0.8817 -0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8219 0.9095 -0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3218 -0.3041 0.8596 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