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
-2.0787 0.3917 -0.0551 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5648 0.4497 -0.1896 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0884 -0.7446 0.3695 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5985 -1.6425 0.8717 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5251 -0.8368 0.3164 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2871 0.1135 -0.2175 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4316 1.4512 -0.2116 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5342 -0.2008 -0.8757 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4111 -0.0282 0.8971 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3378 0.4874 -1.2873 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1410 1.3387 0.2901 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9770 -1.7427 0.7435 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8751 1.0006 -0.6379 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3449 -0.0371 -0.2148 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