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
1.5829 0.4847 0.9083 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2019 -0.6721 0.0287 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2294 -0.6577 -0.3477 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6373 -1.5898 -1.0834 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1698 0.3519 0.0763 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4218 0.2917 -0.3018 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7000 0.4880 0.9718 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1604 0.4589 1.9092 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3008 1.4142 0.3736 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7924 -0.5904 -0.9073 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4480 -1.6562 0.4687 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8318 1.1530 0.7051 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7517 -0.5305 -0.9427 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1445 1.0545 0.0153 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