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
-2.2898 -0.2911 -0.3946 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2792 -0.9686 -1.2653 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0084 -0.7717 -0.9731 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4585 0.0573 0.1349 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3153 0.6563 0.9075 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8103 0.1821 0.3339 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3880 0.9542 1.3694 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2280 -0.6319 0.6381 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3139 -0.5765 -0.7655 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1276 0.8032 -0.5382 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5482 -1.5838 -2.0856 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7161 -1.2809 -1.6283 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3533 1.3486 0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6384 0.3152 2.2315 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7458 1.7875 1.7000 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