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
   -2.4319    0.4286   -0.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2306   -0.3982    0.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0464    0.1715   -0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1456   -0.6231    0.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0458   -1.8557    0.4583 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4726    0.0296    0.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6475    0.3715   -1.2697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1961    1.4758    0.1219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2904    0.0298    0.4183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3351   -1.4372    0.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0725    1.2237   -0.2542 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1340   -0.6088   -0.5539 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9298    0.1971    1.0940 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3778    0.9955   -0.4518 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