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
    2.4317   -0.5839    0.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2489    0.2626   -0.0553 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0208   -0.2001    0.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250    0.6560   -0.1987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9384    1.8717   -0.5034 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5034    0.1632   -0.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9791   -0.7872   -0.7786 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1177   -0.0373    0.8917 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1255   -1.5154    0.6839 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4137    1.3100   -0.3178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1123   -1.2399    0.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2212    0.7248   -0.7292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6060   -0.9003   -0.3824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8312    0.2757    0.9680 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