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
-1.8079 -0.0587 -0.1781 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0134 0.7882 0.7999 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4059 0.7220 0.3612 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0288 1.6990 -0.1065 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0820 -0.5558 0.4878 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3359 -0.7715 0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2180 -0.3256 -1.0917 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7367 0.4261 -0.5332 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0299 -1.0470 0.3222 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3249 1.8522 0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0752 0.3921 1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5477 -1.4118 0.8961 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9849 0.0179 -0.2822 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8207 -1.7273 0.2426 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