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
-2.8425 -0.2529 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3835 -0.3185 -0.0582 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6404 0.5786 0.5325 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8140 0.5871 0.4396 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4578 1.4805 1.0343 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4950 -0.3649 -0.2873 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8979 -0.3328 -0.3598 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3330 -0.8074 -0.7474 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1315 -0.7163 1.0638 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2267 0.7988 0.0168 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9427 -1.0939 -0.6425 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1278 1.3427 1.1118 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3683 -1.2157 0.1225 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3174 0.5549 0.1779 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2776 -0.2401 -1.4050 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