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
    2.4177   -0.3285   -0.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1860    0.4276   -0.5074 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0513    0.2132    0.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1642    0.9296   -0.2246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1374    1.8095   -1.1247 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4366    0.6688    0.4678 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5215   -0.3578    0.9693 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2415   -1.3744   -0.5305 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3102    0.0769   -0.6283 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    1.1682   -1.2888 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0104   -0.5477    0.8761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2697   -0.1705    1.1995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2320    0.3947   -0.2344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7778    1.5225    1.0906 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