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
-2.9263 0.1812 0.5801 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5571 -0.3947 0.3886 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5638 0.3886 0.0594 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7592 -0.1564 -0.1274 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0181 -1.3777 0.0126 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8119 0.6730 -0.4762 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1037 0.1299 -0.6569 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3622 -0.3105 1.4527 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5073 -0.0044 -0.3544 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8650 1.2692 0.8151 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3846 -1.4433 0.5191 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7349 1.4355 -0.0712 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5259 0.6110 -1.5615 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0034 -0.9459 -0.8447 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6790 0.3613 0.2650 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