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
-2.8583 0.1124 -0.0165 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3920 0.2055 -0.1371 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5643 -0.6471 0.4162 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8746 -0.5278 0.2786 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6154 -1.3810 0.8358 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4648 0.5097 -0.4566 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8788 0.5262 -0.5226 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3041 -0.6433 -0.7151 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0652 -0.3028 1.0083 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3671 1.0780 -0.1497 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9858 1.0250 -0.7156 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9658 -1.4632 0.9921 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2594 0.1597 0.4467 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1557 -0.1984 -1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2540 1.5470 -0.7624 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