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
   -2.0873    0.2506   -0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2847   -0.9902   -0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0194   -0.9618    0.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8184    0.2533    0.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2383    1.3658   -0.0147 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2999    0.2300    0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8324    0.8381   -0.9541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8824    0.8967    0.8412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1721    0.0288   -0.1310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7991   -1.9273    0.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5472   -1.9021    0.0396 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6657   -0.8133    0.1345 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7495    0.6984   -0.8620 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7198    0.7784    0.9129 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