Monomers
Methyl vinyl ketone
Identifiers
IUPAC name
but-3-en-2-one
InchI
InChI=1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3
InchI Key
FUSUHKVFWTUUBE-UHFFFAOYSA-N
SMILES
CC(=O)C=C
Canonical SMILES
CC(=O)C=C
Isomeric SMILES
CC(=O)C=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C4H6O
Heavy Atom Count
5
Molecular Weight
70.091
Exact Molecular Weight
70.0419
Valence Electrons
28
Radical Electrons
0
tPSA
17.07
MolLogP
0.7614
H Bond Acceptors
1
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
11 10 0 0 0 0 0 0 0 0999 V2000
-1.7331 0.0151 -0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3361 -0.3165 -0.3789 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0467 -1.1147 -1.3035 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7554 0.2789 0.3727 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0089 -0.0100 0.0927 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0074 -0.4151 0.9264 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4486 -0.2593 -0.8365 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8156 1.1266 0.0719 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5626 0.9748 1.1815 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2237 -0.6975 -0.7052 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8367 0.4176 0.6345 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 2 3
1 6 1 0
1 7 1 0
1 8 1 0
4 9 1 0
5 10 1 0
5 11 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers