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
-1.6539 0.8294 -0.1238 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8350 -0.6182 -0.4333 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7854 -1.4148 -0.4887 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5737 -0.9635 -0.2621 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5208 -1.7824 -0.3323 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8993 0.3506 0.0349 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2280 0.7540 0.2489 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2455 0.8792 0.9054 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6386 1.3177 -0.1181 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0158 1.3420 -0.8717 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8198 -1.0066 -0.6099 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9526 -2.4522 -0.7143 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1774 1.7485 0.7642 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7798 0.0788 0.9221 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7676 0.9376 -0.7141 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