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
    2.2774   -0.2852   -0.3828 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8092   -0.2281   -0.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2115    0.5509    0.6542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2297    0.6024    0.8085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7659    1.3656    1.6623 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1520   -0.2289   -0.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7257   -1.2133    0.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5995   -0.2034   -1.4279 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7535    0.5508    0.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2073   -0.8695   -0.8660 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8008    1.1841    1.2916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1062   -0.4112    0.5562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4082    0.3851   -0.9111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7230   -1.1994   -0.2948 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