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
-1.7467 0.6882 0.2204 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8071 -0.7071 -0.2754 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7051 -1.3994 -0.4822 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6219 -0.8790 -0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6319 -1.5929 -0.4698 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8546 0.4083 0.2115 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1875 0.8826 0.4255 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7493 1.1496 0.2894 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1662 1.3578 -0.4728 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2390 0.6984 1.2056 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7714 -1.1428 -0.4629 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7982 -2.4324 -0.8509 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6090 1.2052 -0.5678 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2199 1.6952 1.1649 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8582 0.0683 0.7690 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