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
1.6818 0.3756 0.6647 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8176 -0.6235 -0.4377 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7162 -1.0167 -1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6191 -0.5405 -0.7085 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6217 -0.9900 -1.3635 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8493 0.3834 0.2954 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1886 0.7760 0.5363 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6995 0.5769 1.0927 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2723 1.3240 0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0930 -0.0738 1.4818 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7930 -1.0090 -0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8484 -1.7526 -1.8511 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7771 -0.1492 0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2777 1.3838 1.4628 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5885 1.3356 -0.3530 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