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
-1.8017 0.5940 0.3642 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7442 -0.8697 0.0501 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5959 -1.5049 -0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6987 -0.8671 0.0779 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7716 -1.5099 -0.0481 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8411 0.4838 0.3698 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1262 1.0896 0.5144 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8418 0.9390 0.5179 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2690 0.8085 1.3177 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3000 1.1156 -0.4914 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6984 -1.3649 -0.0672 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6214 -2.5560 -0.2999 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9221 0.4702 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1642 2.0979 0.0944 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3484 1.0740 1.6163 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