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
-2.9421 0.5151 0.4266 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6883 -0.2035 0.1485 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5296 0.4092 0.2017 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7239 -0.3242 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7128 -1.5441 -0.3754 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9522 0.3039 -0.0287 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1839 -0.2987 -0.2768 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7211 -0.1215 0.8965 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4050 0.9502 -0.4902 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7838 1.3945 1.1105 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7023 -1.2455 -0.1035 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5041 1.4577 0.4543 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7990 -0.4573 0.6248 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7748 0.4223 -0.9132 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1297 -1.2581 -0.8168 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