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
-5.9916 0.6515 1.3229 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4981 0.8721 0.9493 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8134 -0.3914 1.3114 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4735 -0.5331 1.1337 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6879 -0.5477 0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2642 -0.4169 -1.0844 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2214 -0.7088 0.0916 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5426 -0.7242 -0.9701 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9922 -0.8863 -0.8567 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7144 -0.8988 -1.8931 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6418 -1.0299 0.3291 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9506 -1.1852 0.6749 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9309 -0.1154 0.3792 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6049 1.2198 1.0133 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3603 0.0156 -1.0515 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0372 -0.5783 -2.3135 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5518 1.2145 -0.5197 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5728 1.4233 0.8163 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2463 -0.3339 0.8816 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1046 0.6189 2.4153 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1323 1.7406 1.5479 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4235 -1.2272 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0069 -0.5514 2.4287 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2072 -0.8171 1.0908 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9658 -1.4243 1.7895 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4150 -2.1396 0.2449 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8933 -0.4443 0.9244 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4261 1.0477 2.0926 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5230 1.8483 0.9072 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7539 1.7131 0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7859 0.7826 -1.6298 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4336 0.3982 -1.0967 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3718 -0.9718 -1.5537 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7520 -0.6391 -3.1151 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5144 0.4386 -2.3623 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7603 -1.3719 -2.5842 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7031 1.8136 -0.8605 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8148 0.3356 -1.1226 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4471 1.9141 -0.7060 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