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
   -1.4908   -0.6891    0.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2302    0.7366   -0.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0601    1.3037   -0.3189 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2374    0.7044   -0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2696    1.4580   -0.2380 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4982   -0.6905    0.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3709   -1.3478   -0.8096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9525   -1.0470    0.9815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5777   -0.8559    0.3749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1633    1.3068   -0.4263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0942    2.3801   -0.5837 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3888   -0.8755    1.3514 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5814   -0.9391    0.0470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9644   -1.4447   -0.3725 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