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
-4.6285 0.2185 -0.8595 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4995 -1.2574 -0.5853 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5575 -1.4181 0.5872 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3197 -0.8477 0.2052 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2925 -0.8965 1.1731 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5160 -1.4248 2.2887 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0188 -0.3476 0.9046 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9636 -0.4004 1.8148 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2589 0.1824 1.4497 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1742 0.1438 2.3005 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5189 0.7666 0.2258 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8095 1.3214 -0.0743 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8215 1.8932 -1.4725 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1911 2.4602 -1.7375 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5708 0.7285 -2.4296 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7632 -1.0097 3.1499 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8373 -1.9109 -0.3391 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5803 0.6209 -0.9047 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1209 0.7241 -0.0227 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0840 0.4253 -1.8416 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0307 -1.7722 -1.4495 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9177 -0.8023 1.4553 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4297 -2.4834 0.8706 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1834 0.1081 -0.0815 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5966 0.5484 0.0171 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9486 2.1507 0.6511 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0668 2.6656 -1.6258 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1471 3.2534 -2.5229 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6039 2.9147 -0.8133 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8593 1.6274 -2.0287 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3548 -0.0410 -2.2780 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7047 1.1416 -3.4508 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5516 0.3404 -2.2527 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7195 -0.8459 3.7303 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0147 -0.3987 3.6877 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5376 -2.0937 3.1182 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7486 -2.8245 0.2844 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2693 -2.2217 -1.3121 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5467 -1.2387 0.1835 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