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
-1.6699 0.8448 0.2178 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8411 -0.6164 -0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8257 -1.4293 -0.2015 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5570 -0.9774 -0.2177 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5205 -1.7719 -0.4069 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8990 0.3519 -0.0265 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2553 0.7825 -0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6173 1.3390 0.4849 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1298 1.3478 -0.6011 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0273 0.9495 1.1409 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8678 -0.9806 0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0380 -2.4764 -0.3559 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6908 0.4364 -1.0178 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8071 0.3335 0.8265 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2872 1.8665 0.0621 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