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
-2.2062 0.6335 -0.3209 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9067 -0.6586 0.3172 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6665 -1.0173 0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4280 -0.1351 0.1745 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2795 0.9656 -0.3642 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7237 -0.5739 0.4476 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8797 0.1475 0.1537 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8019 0.7356 -1.3535 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8800 1.5200 0.2593 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3326 0.7328 -0.3759 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7057 -1.3215 0.5996 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4930 -1.9813 1.0228 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7273 -0.5960 0.1214 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1146 0.8499 1.0028 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8398 0.6987 -0.8113 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