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
-2.9734 0.3159 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6249 -0.0055 -0.3639 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5659 0.1955 0.3781 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7705 -0.1111 -0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9532 -0.5905 -1.2588 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8868 0.0950 0.6733 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1996 -0.2169 0.1823 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2388 1.3406 -0.1924 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7348 -0.4437 -0.1824 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0146 0.3034 1.2633 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5022 -0.4093 -1.3517 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6906 0.5987 1.3643 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1018 -1.2694 -0.2168 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5121 0.4915 -0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9212 -0.2942 1.0203 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