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
    3.5284    0.7440    0.9057 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6099    0.1567    0.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3057   -0.1231    0.7476 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    0.1954    1.9212 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2684   -0.7987   -0.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0706   -0.0222   -1.3186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3024    0.7954   -1.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3785    0.3028   -0.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7324    0.0179    0.9866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8722   -1.1958    0.7592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7977   -2.4600   -0.1090 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3050    1.0127    1.9222 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4926    0.9479    0.4744 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8383   -0.1191   -0.8665 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7726   -1.7538   -0.4463 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7920    0.6842   -1.5190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0661   -0.6756   -2.2417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0866    1.8587   -0.9885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7394    0.8377   -2.3045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1507    1.0697   -0.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8033   -0.6188   -0.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4672   -0.1093    1.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0566    0.8673    1.2234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4599   -1.6144    1.7002 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