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
-1.5999 -0.8881 0.1874 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8800 0.5514 -0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9071 1.3983 -0.2083 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5079 0.9911 -0.2487 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4221 1.8279 -0.4412 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9085 -0.3252 -0.0786 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2895 -0.6913 -0.1228 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9637 -1.0782 1.0935 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5220 -1.4782 0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1198 -1.2746 -0.7354 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8917 0.9003 0.0101 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1718 2.4337 -0.3457 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4913 -1.3670 -0.9835 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9440 0.2175 -0.1547 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4928 -1.2175 0.8511 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