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
-2.9742 -0.0332 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5822 -0.5315 -0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6113 0.3570 0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7795 -0.0996 0.1433 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0407 -1.3282 0.1535 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8404 0.7846 0.2230 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1469 0.2525 0.3106 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0922 0.9360 0.4274 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2076 0.1558 -1.2036 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6861 -0.7445 0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4038 -1.6031 -0.0187 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8177 1.4140 0.0417 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1462 -0.7688 0.7603 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7593 0.9338 0.9683 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6622 0.2752 -0.6760 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