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
   -2.4925    0.1303   -0.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1421   -0.3922   -0.3907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0803    0.1755    0.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2434   -0.3614   -0.1987 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3597   -1.3568   -0.9535 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4841    0.2283    0.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2571   -0.3257   -0.7577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7435   -0.1880    0.9472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5639    1.2203   -0.2389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0610   -1.2497   -1.0423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2099    1.0252    0.7617 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3785    1.3152    0.5137 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3550    0.0696   -0.3283 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7296   -0.2907    1.3127 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