Monomers
Methyl crotonate
Identifiers
IUPAC name
methyl (E)-but-2-enoate
InchI
InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h3-4H,1-2H3/b4-3+
InchI Key
MCVVUJPXSBQTRZ-ONEGZZNKSA-N
SMILES
C/C=C/C(=O)OC
Canonical SMILES
CC=CC(=O)OC
Isomeric SMILES
C/C=C/C(=O)OC
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H8O2
Heavy Atom Count
7
Molecular Weight
100.117
Exact Molecular Weight
100.0524
Valence Electrons
40
Radical Electrons
0
tPSA
26.3
MolLogP
0.7355
H Bond Acceptors
2
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
15 14 0 0 0 0 0 0 0 0999 V2000
-1.7171 0.5529 -0.3051 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7860 -0.8289 0.2419 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6881 -1.4298 0.6436 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6324 -0.8266 0.5923 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6251 -1.4772 0.9988 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8668 0.4490 0.1121 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1625 1.0263 0.0677 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3051 1.2772 0.4544 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0620 0.5386 -1.2097 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7519 0.8775 -0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7243 -1.3504 0.3158 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7721 -2.4295 1.0345 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6036 1.1252 1.0895 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0690 2.0559 -0.3239 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8472 0.4399 -0.5566 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
3 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
1 8 1 0
1 9 1 0
1 10 1 0
2 11 1 0
3 12 1 0
7 13 1 0
7 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers