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
-2.8642 -0.2236 -0.4437 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3887 -0.3058 -0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6104 0.7286 -0.2417 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8444 0.6518 -0.2872 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5216 1.6827 -0.0371 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5076 -0.5314 -0.6001 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9243 -0.5130 -0.6207 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2565 -1.0550 0.1986 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3275 -0.2691 -1.4669 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1974 0.7476 -0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9216 -1.2426 -0.7376 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0949 1.6604 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3618 -1.4332 -0.9996 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2545 0.3729 -1.2289 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2472 -0.2702 0.4279 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