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
5.9560 -1.0689 0.7989 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7099 -0.1545 0.5946 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5645 -1.0833 0.4887 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2970 -0.6580 0.3306 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6728 -0.0168 -0.6644 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2967 0.2846 -1.7017 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2413 0.3425 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4686 0.0590 0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8781 0.4450 0.5455 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5973 0.1824 1.5581 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4425 1.1051 -0.5271 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7955 1.4895 -0.5209 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7534 0.3340 -0.3992 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1771 0.9094 -0.4077 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6129 -0.5968 -1.5943 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1288 -0.6469 1.6529 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9802 0.6174 -0.6699 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8001 -2.0360 0.2949 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8596 -0.5329 0.5119 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9741 -1.2783 1.8883 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6718 0.5126 1.4648 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5564 -1.7818 1.4039 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8097 -1.8403 -0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2165 0.8612 -1.3839 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0444 1.9945 -1.4972 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9543 2.2156 0.3143 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5957 -0.2895 0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8257 0.1610 -0.9076 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5349 1.0895 0.6352 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1493 1.8547 -0.9749 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7005 -1.6695 -1.2832 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5689 -0.4433 -1.9877 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3580 -0.3192 -2.3619 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9519 -0.0311 2.1034 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6653 -0.8339 2.4304 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4780 -1.6574 1.3479 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9153 0.0055 -1.5888 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0950 0.9262 -0.6799 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3800 1.5488 -0.6858 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