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
   -2.2874    0.3673   -0.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8176    0.2563   -0.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1427   -0.8232    0.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3109   -0.8515    0.2408 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8531   -1.9335    0.5787 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1127    0.3481   -0.1172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8043   -0.3744    0.4661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6489    0.2080   -1.2288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6111    1.3915    0.1002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2427    1.1266   -0.3838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7368   -1.6876    0.4724 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9171    1.1948    0.5826 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9039    0.6903   -1.1654 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1939    0.0874   -0.0425 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