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
-1.3692 -0.3836 0.1597 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4844 0.7915 -0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0679 1.9026 -0.1285 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9517 0.6784 -0.1416 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5640 -0.4835 -0.0543 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9158 -1.1376 0.8333 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3635 -0.0964 0.5574 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4844 -0.8516 -0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5692 1.5516 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9682 -1.3679 0.0937 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6320 -0.6037 -0.1223 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