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
-3.0121 -0.2348 -0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6195 -0.0035 0.3582 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5983 -0.1623 -0.4683 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7796 0.0685 -0.0174 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9687 0.4226 1.1789 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8733 -0.0785 -0.8217 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2025 0.1589 -0.3348 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7042 -0.1869 0.7518 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2622 0.5660 -0.8328 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0330 -1.2027 -0.6331 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4466 0.3002 1.3809 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7820 -0.4676 -1.4941 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5576 1.1242 -0.8006 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1950 0.3602 0.7624 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8812 -0.6643 -0.5517 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