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
    2.2194    0.6161   -0.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7523    0.4788    0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2476   -0.7067   -0.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1564   -1.0016   -0.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5544   -2.1481   -0.5257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1073    0.0805    0.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6385    0.0422    0.8136 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5603    0.1389   -0.9877 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4940    1.6914    0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0925    1.2939    0.2466 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9391   -1.5023   -0.5022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2785    0.6578   -0.8726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0915   -0.3709    0.3485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7556    0.7300    0.9009 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