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
2.7672 0.6901 -0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3062 0.4422 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7206 -0.6547 -0.2599 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7101 -0.8180 -0.0544 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3268 -1.8611 -0.4295 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4877 0.1538 0.5629 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8724 0.0317 0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0029 1.2082 -0.9622 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2332 -0.3363 -0.0884 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1362 1.1974 0.8846 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7504 1.2283 0.6318 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2847 -1.4377 -0.7449 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4116 -0.2915 -0.1589 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1340 -0.6280 1.6155 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2588 1.0757 0.9678 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