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
   -2.4439   -0.4629   -0.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1325   -0.0709   -0.7963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0731   -0.0381   -0.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2467    0.3422   -0.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4111    0.6591   -1.7062 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3862    0.3542    0.4353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9559    0.4486    0.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0720   -1.0017   -1.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625   -1.1023    0.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0453    0.1886   -1.8258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1396   -0.3030    1.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4093    1.2590    1.0791 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3158    0.2443   -0.1641 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3558   -0.5171    1.1173 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