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
-3.0130 -0.1179 -0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5839 -0.3418 -0.3824 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5934 0.1905 0.2904 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8070 -0.0232 -0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0935 -0.7554 -1.0133 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8476 0.5426 0.6797 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1930 0.2777 0.2872 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1548 0.6729 0.6987 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4728 -1.0967 0.2652 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5147 0.1871 -1.0054 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3915 -0.9812 -1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8177 0.8330 1.1469 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1970 -0.4761 -0.5487 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7569 -0.1162 1.1419 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6468 1.2048 -0.1226 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