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
    2.4338    0.0169    0.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1260    0.6563   -0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0506   -0.0949   -0.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2651    0.4277   -0.4368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4514    1.6498   -0.5379 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4176   -0.4640   -0.5802 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8188   -0.5095   -0.7053 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1852    0.7450    0.6018 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3532   -0.7782    0.9920 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0973    1.7280   -0.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1531   -1.1775   -0.1063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2968   -1.3002    0.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3723    0.0783   -0.4044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4147   -0.9776   -1.5746 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