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
   -2.5014    0.0693    0.3686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1560   -0.5489    0.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0542    0.1683    0.3724 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2427   -0.4664    0.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3362   -1.7057    0.2900 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4954    0.3586    0.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1979   -0.4793    1.0544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9568    0.1745   -0.6257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4109    1.1187    0.7757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0753   -1.6190    0.2944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1326    1.2681    0.4205 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3323   -0.2011   -0.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3265    1.3225   -0.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7519    0.5405    1.4509 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