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
   -2.0256    0.1635   -0.2105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1822   -0.9196    0.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1091   -0.7973    0.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7310    0.4023   -0.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1522    1.3835   -0.6147 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2395    0.5065   -0.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8193    0.3959   -1.2811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0895   -0.1870   -0.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8857    1.0829    0.4205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6272   -1.8446    0.7294 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6998   -1.6010    0.7791 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5763    1.5402   -0.1235 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5288   -0.0140    0.8635 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5929   -0.1113   -0.9377 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