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
-2.3507 0.2358 0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7174 -0.8428 0.8151 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4013 -0.9441 0.7864 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4526 -0.0691 0.0293 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0794 0.8870 -0.6905 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8444 -0.2580 0.0632 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7372 0.5629 -0.6545 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9415 1.1974 0.4038 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4609 0.2071 0.0899 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0709 0.0882 -1.0273 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3100 -1.5259 1.3999 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0790 -1.7430 1.3739 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6062 0.8845 -0.0119 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2033 -0.0853 -1.4442 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2506 1.4051 -1.1538 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