Monomers

Pent-3-en-2-one

Identifiers

IUPAC name
pent-3-en-2-one
InchI
InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3
InchI Key
LABTWGUMFABVFG-UHFFFAOYSA-N
SMILES
CC=CC(=O)C
Canonical SMILES
CC=CC(=O)C
Isomeric SMILES
CC=CC(=O)C
Resources
cid=

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
   -2.3331    0.2759    0.0749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8547    0.2835    0.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1442   -0.7173   -0.3667 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3189   -0.7371   -0.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9261   -1.7260   -0.8193 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1262    0.3494    0.2347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6983    0.0244    1.0846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6704   -0.5065   -0.6284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7653    1.2314   -0.2631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3600    1.1307    0.5611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6872   -1.5461   -0.8004 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1133    0.4666   -0.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6263    1.3242    0.1393 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4022    0.1468    1.3015 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  3 11  1  0
  6 12  1  0
  6 13  1  0
  6 14  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers