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
-2.2212 0.4889 -0.3132 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7960 -0.9165 -0.1963 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5399 -1.2227 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4871 -0.2169 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2113 0.9963 -0.1734 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8460 -0.5472 0.0369 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8012 0.4711 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8461 1.0152 -1.1997 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3324 0.4837 -0.4142 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9557 1.0623 0.5988 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5224 -1.7408 -0.1963 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2222 -2.2635 -0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8108 0.1392 -0.2487 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4955 1.3170 -0.6425 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7841 0.9342 1.0671 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