2,4-dichloro-6-(2,3,5-trichlorocyclohexyl)sulfanylcyclohexan-1-ol

C12H17Cl5OS — CID 140696438

IUPAC2,4-dichloro-6-(2,3,5-trichlorocyclohexyl)sulfanylcyclohexan-1-ol
SMILESOC1C(Cl)CC(Cl)CC1SC1CC(Cl)CC(Cl)C1Cl
InChIInChI=1S/C12H17Cl5OS/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h5-12,18H,1-4H2
InChIKeyAEIJGHDFNMVOLQ-UHFFFAOYSA-N
MW386.60 g/mol
LogP4.44
Rot. Bonds2

About 2,4-dichloro-6-(2,3,5-trichlorocyclohexyl)sulfanylcyclohexan-1-ol

2,4-dichloro-6-(2,3,5-trichlorocyclohexyl)sulfanylcyclohexan-1-ol (PubChem CID 140696438) has the molecular formula C12H17Cl5OS and a molecular weight of 386.60 g/mol. Its IUPAC name is 2,4-dichloro-6-(2,3,5-trichlorocyclohexyl)sulfanylcyclohexan-1-ol.

Molecular Properties

Compound Name2,4-dichloro-6-(2,3,5-trichlorocyclohexyl)sulfanylcyclohexan-1-ol
PubChem CID140696438
Molecular FormulaC12H17Cl5OS
Molecular Weight386.60 g/mol
Exact Mass383.94
IUPAC Name2,4-dichloro-6-(2,3,5-trichlorocyclohexyl)sulfanylcyclohexan-1-ol
SMILESOC1C(Cl)CC(Cl)CC1SC1CC(Cl)CC(Cl)C1Cl
InChIInChI=1S/C12H17Cl5OS/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h5-12,18H,1-4H2
InChIKeyAEIJGHDFNMVOLQ-UHFFFAOYSA-N
XLogP4.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.60
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(2,3,5-trichlorocyclohexyl)sulfanylcyclohexan-1-ol?
The IUPAC name of 2,4-dichloro-6-(2,3,5-trichlorocyclohexyl)sulfanylcyclohexan-1-ol (CID 140696438) is 2,4-dichloro-6-(2,3,5-trichlorocyclohexyl)sulfanylcyclohexan-1-ol.
What is the SMILES notation for 2,4-dichloro-6-(2,3,5-trichlorocyclohexyl)sulfanylcyclohexan-1-ol?
The canonical SMILES for 2,4-dichloro-6-(2,3,5-trichlorocyclohexyl)sulfanylcyclohexan-1-ol is OC1C(Cl)CC(Cl)CC1SC1CC(Cl)CC(Cl)C1Cl.
What is the InChIKey of 2,4-dichloro-6-(2,3,5-trichlorocyclohexyl)sulfanylcyclohexan-1-ol?
The InChIKey is AEIJGHDFNMVOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl5OS/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h5-12,18H,1-4H2.
What are the key properties of 2,4-dichloro-6-(2,3,5-trichlorocyclohexyl)sulfanylcyclohexan-1-ol?
2,4-dichloro-6-(2,3,5-trichlorocyclohexyl)sulfanylcyclohexan-1-ol has a molecular weight of 386.60 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(2,3,5-trichlorocyclohexyl)sulfanylcyclohexan-1-ol is sourced from PubChem (CID 140696438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).