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
-3.0038 -0.0331 0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5821 -0.0471 0.4584 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5900 0.0024 -0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7985 -0.0123 0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1042 -0.0725 1.2204 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8185 0.0407 -0.9136 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1738 0.0264 -0.4994 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2081 -0.9684 -0.5216 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1361 0.8750 -0.6103 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6563 0.1106 0.9074 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3393 -0.0995 1.5031 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8308 0.0555 -1.4671 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2759 -0.8265 0.2017 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3764 0.9917 -0.0107 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7992 -0.0429 -1.3912 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