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
    2.2848    0.3908   -0.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8200    0.3307   -0.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1648   -0.6799    0.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2893   -0.7966    0.3579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8410   -1.7944    0.8692 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1214    0.2422   -0.2747 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6184    0.7702    0.9604 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6973   -0.6371   -0.2217 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7356    1.0433   -0.8248 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2768    1.1207   -0.5886 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7753   -1.4651    0.8740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2446   -0.0297   -1.3594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1605    0.2415    0.1443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7161    1.2633   -0.1771 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