1-chloro-6-(methoxymethylsulfanyl)hexane

C8H17ClOS — CID 22568240

IUPAC1-chloro-6-(methoxymethylsulfanyl)hexane
SMILESCOCSCCCCCCCl
InChIInChI=1S/C8H17ClOS/c1-10-8-11-7-5-3-2-4-6-9/h2-8H2,1H3
InChIKeyMJTJERFAKKLBSX-UHFFFAOYSA-N
MW196.74 g/mol
LogP3.12
Rot. Bonds8

About 1-chloro-6-(methoxymethylsulfanyl)hexane

1-chloro-6-(methoxymethylsulfanyl)hexane (PubChem CID 22568240) has the molecular formula C8H17ClOS and a molecular weight of 196.74 g/mol. Its IUPAC name is 1-chloro-6-(methoxymethylsulfanyl)hexane.

Molecular Properties

Compound Name1-chloro-6-(methoxymethylsulfanyl)hexane
PubChem CID22568240
Molecular FormulaC8H17ClOS
Molecular Weight196.74 g/mol
Exact Mass196.07
IUPAC Name1-chloro-6-(methoxymethylsulfanyl)hexane
SMILESCOCSCCCCCCCl
InChIInChI=1S/C8H17ClOS/c1-10-8-11-7-5-3-2-4-6-9/h2-8H2,1H3
InChIKeyMJTJERFAKKLBSX-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.74
LogP ≤ 53.12
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-(methoxymethylsulfanyl)hexane?
The IUPAC name of 1-chloro-6-(methoxymethylsulfanyl)hexane (CID 22568240) is 1-chloro-6-(methoxymethylsulfanyl)hexane.
What is the SMILES notation for 1-chloro-6-(methoxymethylsulfanyl)hexane?
The canonical SMILES for 1-chloro-6-(methoxymethylsulfanyl)hexane is COCSCCCCCCCl.
What is the InChIKey of 1-chloro-6-(methoxymethylsulfanyl)hexane?
The InChIKey is MJTJERFAKKLBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClOS/c1-10-8-11-7-5-3-2-4-6-9/h2-8H2,1H3.
What are the key properties of 1-chloro-6-(methoxymethylsulfanyl)hexane?
1-chloro-6-(methoxymethylsulfanyl)hexane has a molecular weight of 196.74 g/mol, XLogP of 3.12, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-(methoxymethylsulfanyl)hexane is sourced from PubChem (CID 22568240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).