Monomers
Ethyl vinyl ketone
Identifiers
IUPAC name
pent-1-en-3-one
InchI
InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3
InchI Key
JLIDVCMBCGBIEY-UHFFFAOYSA-N
SMILES
CCC(=O)C=C
Canonical SMILES
CCC(=O)C=C
Isomeric SMILES
CCC(=O)C=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H8O
Heavy Atom Count
6
Molecular Weight
84.118
Exact Molecular Weight
84.0575
Valence Electrons
34
Radical Electrons
0
tPSA
17.07
MolLogP
1.1515
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
14 13 0 0 0 0 0 0 0 0999 V2000
2.0078 -0.5710 0.0296 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5229 -0.5512 0.1223 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0018 0.7806 -0.2477 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8036 1.6720 -0.5718 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4325 1.0169 -0.2242 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2910 0.0595 0.1237 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4404 -0.1252 0.9513 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3065 0.0861 -0.8272 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4372 -1.5657 -0.1713 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1500 -0.7710 1.1584 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1125 -1.3460 -0.5603 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8259 1.9929 -0.4946 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3460 0.2303 0.1419 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8874 -0.9083 0.3909 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
3 5 1 0
5 6 2 3
1 7 1 0
1 8 1 0
1 9 1 0
2 10 1 0
2 11 1 0
5 12 1 0
6 13 1 0
6 14 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers