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
Resources
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
-1.9106 -0.4694 -0.8421 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5835 -0.4500 -0.1658 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2062 0.7700 -0.4398 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1751 1.7149 -1.1660 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5279 0.8919 0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0201 -0.0376 0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5576 -1.2005 -0.2988 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4551 0.5069 -0.7826 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8587 -0.8437 -1.8888 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0248 -1.3509 -0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7604 -0.4745 0.9382 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1419 1.7832 -0.0049 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9863 0.0777 1.3866 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4435 -0.9182 1.1454 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