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
   -2.2645    0.2334    0.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7928    0.2385   -0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0954   -0.8424   -0.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3591   -0.8250   -0.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0531   -1.8356   -0.5677 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0314    0.4471    0.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6599    0.8586   -0.8142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6866   -0.7953   -0.0088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6319    0.6937    0.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2806    1.1625    0.2273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5888   -1.7773   -0.5186 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1192    0.3441    0.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6209    0.9175    0.9416 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8168    1.1802   -0.8088 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