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
-2.4847 1.3341 -0.0618 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2021 0.6284 0.1847 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4520 0.3219 -0.8623 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8159 -0.3687 -0.6974 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5235 -0.6578 -1.6852 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2173 -0.6968 0.5814 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4316 -1.3658 0.8252 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3313 2.4442 -0.1809 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8885 0.9457 -1.0175 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1850 1.1727 0.7879 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8857 0.3691 1.2009 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7813 0.5868 -1.8644 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6631 -2.1140 0.0371 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2987 -1.9417 1.7711 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2605 -0.6581 0.9812 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