1-chloro-6-(2-methoxyethylsulfanyl)hexane

C9H19ClOS — CID 62228574

IUPAC1-chloro-6-(2-methoxyethylsulfanyl)hexane
SMILESCOCCSCCCCCCCl
InChIInChI=1S/C9H19ClOS/c1-11-7-9-12-8-5-3-2-4-6-10/h2-9H2,1H3
InChIKeyRWPHCCWAUMZRPV-UHFFFAOYSA-N
MW210.77 g/mol
LogP3.17
Rot. Bonds9

About 1-chloro-6-(2-methoxyethylsulfanyl)hexane

1-chloro-6-(2-methoxyethylsulfanyl)hexane (PubChem CID 62228574) has the molecular formula C9H19ClOS and a molecular weight of 210.77 g/mol. Its IUPAC name is 1-chloro-6-(2-methoxyethylsulfanyl)hexane.

Molecular Properties

Compound Name1-chloro-6-(2-methoxyethylsulfanyl)hexane
PubChem CID62228574
Molecular FormulaC9H19ClOS
Molecular Weight210.77 g/mol
Exact Mass210.08
IUPAC Name1-chloro-6-(2-methoxyethylsulfanyl)hexane
SMILESCOCCSCCCCCCCl
InChIInChI=1S/C9H19ClOS/c1-11-7-9-12-8-5-3-2-4-6-10/h2-9H2,1H3
InChIKeyRWPHCCWAUMZRPV-UHFFFAOYSA-N
XLogP3.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.77
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-(2-methoxyethylsulfanyl)hexane?
The IUPAC name of 1-chloro-6-(2-methoxyethylsulfanyl)hexane (CID 62228574) is 1-chloro-6-(2-methoxyethylsulfanyl)hexane.
What is the SMILES notation for 1-chloro-6-(2-methoxyethylsulfanyl)hexane?
The canonical SMILES for 1-chloro-6-(2-methoxyethylsulfanyl)hexane is COCCSCCCCCCCl.
What is the InChIKey of 1-chloro-6-(2-methoxyethylsulfanyl)hexane?
The InChIKey is RWPHCCWAUMZRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClOS/c1-11-7-9-12-8-5-3-2-4-6-10/h2-9H2,1H3.
What are the key properties of 1-chloro-6-(2-methoxyethylsulfanyl)hexane?
1-chloro-6-(2-methoxyethylsulfanyl)hexane has a molecular weight of 210.77 g/mol, XLogP of 3.17, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-(2-methoxyethylsulfanyl)hexane is sourced from PubChem (CID 62228574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).