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
-2.8374 -0.4890 -0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3500 -0.3991 0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7143 0.5539 -0.5911 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7314 0.6797 -0.5698 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3144 1.6116 -1.1812 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5587 -0.2033 0.1142 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9606 -0.0998 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1891 0.0759 -0.9091 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2180 0.0161 0.8988 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1843 -1.5433 -0.0609 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8579 -1.1692 0.6102 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2709 1.2845 -1.1474 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3160 0.9488 0.2558 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2953 -0.7050 1.0383 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4452 -0.5619 -0.7483 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