Monomers

1-(2-Chlorocyclohexyl)prop-2-en-1-one

Identifiers

IUPAC name
1-(2-chlorocyclohexyl)prop-2-en-1-one
InchI
InChI=1S/C9H13ClO/c1-2-9(11)7-5-3-4-6-8(7)10/h2,7-8H,1,3-6H2
InchI Key
PYMOQEYNJKYIRA-UHFFFAOYSA-N
SMILES
C=CC(=O)C1CCCCC1Cl
Canonical SMILES
C=CC(=O)C1CCCCC1Cl
Isomeric SMILES
C=CC(=O)C1CCCCC1Cl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H13ClO
Heavy Atom Count
11
Molecular Weight
172.655
Exact Molecular Weight
172.0655
Valence Electrons
62
Radical Electrons
0
tPSA
17.07
MolLogP
2.5391
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 24 24  0  0  0  0  0  0  0  0999 V2000
    3.8258   -0.5167   -0.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250   -0.5868   -0.2593 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7304    0.5730    0.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3397    1.6525    0.3257 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2730    0.5470    0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2456   -0.4403    1.2211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6839    0.0103    1.5022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5021   -0.0644    0.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8817    0.6205   -0.9281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4196    0.1912   -1.1111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3858   -1.5786   -1.2872 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4198   -1.3938   -0.5974 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3994    0.3803   -0.1429 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0237   -1.5134   -0.4609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0982    1.5507    0.4725 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3604   -0.4586    2.1244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3320   -1.4619    0.8084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0887   -0.6615    2.2568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6158    1.0603    1.8732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4653    0.4805    0.4641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7411   -1.1322    0.0677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9464    1.7034   -0.7982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4834    0.3446   -1.8162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0076    0.6940   -1.9828 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10  5  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  5 15  1  0
  6 16  1  0
  6 17  1  0
  7 18  1  0
  7 19  1  0
  8 20  1  0
  8 21  1  0
  9 22  1  0
  9 23  1  0
 10 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers