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
    2.4576    0.1593    0.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1541    0.0007   -0.5254 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0601    0.0234    0.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2133   -0.1313   -0.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3436   -0.2883   -1.7100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4547   -0.1058    0.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4372   -0.4305    1.1115 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6429    1.2139    0.4842 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2827   -0.1750   -0.5153 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1310   -0.1282   -1.5831 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0997    0.1570    1.2810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1895    0.5263   -0.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7808   -1.1688    0.4430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833    0.3476    1.3396 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