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
   -2.4984    0.1166    0.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1849   -0.3428   -0.3128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0384    0.1918    0.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2058   -0.3350   -0.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1772   -1.2858   -1.3501 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5334    0.2117   -0.1748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1135    0.3681   -0.7048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4239    1.0238    0.8182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0431   -0.7173    0.7035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2181   -1.1648   -1.0237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0570    0.9997    0.7489 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0131   -0.4913    0.5486 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4798    1.2465    0.2305 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1681    0.1789   -1.0861 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