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
-1.6612 0.6994 0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8079 -0.5059 -0.4239 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7277 -1.2123 -0.7587 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6032 -0.8437 -0.3177 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5704 -1.5583 -0.6741 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8770 0.2498 0.4741 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1453 0.6315 0.9153 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6468 1.1750 0.5689 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0288 1.4816 -0.0862 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2449 0.4532 1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7837 -0.8113 -0.7715 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8461 -2.0868 -1.3777 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3600 1.6353 0.4584 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9646 -0.0296 0.5899 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2266 0.7221 2.0255 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