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
   -2.5080    0.1436   -0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1963   -0.0833   -0.6527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1091    0.0452    0.0827 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2183   -0.1617   -0.4806 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3015   -0.4688   -1.6971 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4595   -0.0336    0.2839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323    1.2340    0.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3595   -0.1448   -0.6326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4962   -0.4817    0.9359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0831   -0.3487   -1.6956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1539    0.3105    1.1389 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3861    0.7174    1.1157 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7874   -1.0344    0.6739 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2855    0.3063   -0.3722 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