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
   -2.2317   -0.3637   -0.1555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7820   -0.2188    0.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0299    0.4414   -0.7551 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3898    0.5686   -0.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1224    1.1982   -1.2898 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9364   -0.0396    0.7443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5494    0.5022   -0.7730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7857   -0.4044    0.8199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3909   -1.3065   -0.7437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4016   -0.6720    1.0035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4649    0.8762   -1.6434 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9866    0.2737    0.9127 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3021    0.2945    1.5959 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8988   -1.1499    0.6581 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