1-chloro-6-(3-methoxypropylsulfanyl)hexane

C10H21ClOS — CID 63856988

IUPAC1-chloro-6-(3-methoxypropylsulfanyl)hexane
SMILESCOCCCSCCCCCCCl
InChIInChI=1S/C10H21ClOS/c1-12-8-6-10-13-9-5-3-2-4-7-11/h2-10H2,1H3
InChIKeyGSFAEYFCKJVUIW-UHFFFAOYSA-N
MW224.80 g/mol
LogP3.56
Rot. Bonds10

About 1-chloro-6-(3-methoxypropylsulfanyl)hexane

1-chloro-6-(3-methoxypropylsulfanyl)hexane (PubChem CID 63856988) has the molecular formula C10H21ClOS and a molecular weight of 224.80 g/mol. Its IUPAC name is 1-chloro-6-(3-methoxypropylsulfanyl)hexane.

Molecular Properties

Compound Name1-chloro-6-(3-methoxypropylsulfanyl)hexane
PubChem CID63856988
Molecular FormulaC10H21ClOS
Molecular Weight224.80 g/mol
Exact Mass224.10
IUPAC Name1-chloro-6-(3-methoxypropylsulfanyl)hexane
SMILESCOCCCSCCCCCCCl
InChIInChI=1S/C10H21ClOS/c1-12-8-6-10-13-9-5-3-2-4-7-11/h2-10H2,1H3
InChIKeyGSFAEYFCKJVUIW-UHFFFAOYSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.80
LogP ≤ 53.56
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-(3-methoxypropylsulfanyl)hexane?
The IUPAC name of 1-chloro-6-(3-methoxypropylsulfanyl)hexane (CID 63856988) is 1-chloro-6-(3-methoxypropylsulfanyl)hexane.
What is the SMILES notation for 1-chloro-6-(3-methoxypropylsulfanyl)hexane?
The canonical SMILES for 1-chloro-6-(3-methoxypropylsulfanyl)hexane is COCCCSCCCCCCCl.
What is the InChIKey of 1-chloro-6-(3-methoxypropylsulfanyl)hexane?
The InChIKey is GSFAEYFCKJVUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClOS/c1-12-8-6-10-13-9-5-3-2-4-7-11/h2-10H2,1H3.
What are the key properties of 1-chloro-6-(3-methoxypropylsulfanyl)hexane?
1-chloro-6-(3-methoxypropylsulfanyl)hexane has a molecular weight of 224.80 g/mol, XLogP of 3.56, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-(3-methoxypropylsulfanyl)hexane is sourced from PubChem (CID 63856988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).