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
1.7356 -0.5335 -0.3037 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7651 -0.0298 0.7506 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1313 0.9621 0.1239 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3495 2.1382 -0.0262 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4775 0.7055 -0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0540 -0.4626 -0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2323 0.3274 -0.8275 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5033 -1.1131 0.2048 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1484 -1.1124 -1.0517 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3339 0.4253 1.5916 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2298 -0.8859 1.1477 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0455 1.5000 -0.7689 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0874 -0.6382 -0.5546 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5024 -1.2830 0.2420 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