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
-2.9797 -0.2183 -0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5539 -0.5621 0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5874 0.3284 0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7937 -0.0458 0.3182 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0968 -1.2126 0.6730 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8143 0.8820 0.1747 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1256 0.4849 0.4284 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4744 0.1294 0.8928 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0222 0.5691 -0.8352 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5079 -1.1027 -0.4643 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3668 -1.5860 0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8256 1.3342 -0.2401 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2670 -0.6273 0.2939 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3611 0.6638 1.5064 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8594 0.9629 -0.2524 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