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
    2.3879    0.0133    0.6679 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2047    0.6021    0.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0393   -0.0114    0.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1377    0.5407   -0.5444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0627    1.6010   -1.1817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4536   -0.1442   -0.4513 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0916    0.7739    1.0535 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0258   -0.5720    1.5384 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8733   -0.6976   -0.0469 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2836    1.5172   -0.5402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0460   -0.9363    0.6438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6750   -0.2426    0.6369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2962   -1.1650   -0.9102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2350    0.4138   -0.9649 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