4-(5-chloropentylsulfanyl)oxane

C10H19ClOS — CID 62996049

IUPAC4-(5-chloropentylsulfanyl)oxane
SMILESClCCCCCSC1CCOCC1
InChIInChI=1S/C10H19ClOS/c11-6-2-1-3-9-13-10-4-7-12-8-5-10/h10H,1-9H2
InChIKeyZWOWDHPYZBHKDR-UHFFFAOYSA-N
MW222.78 g/mol
LogP3.31
Rot. Bonds6

About 4-(5-chloropentylsulfanyl)oxane

4-(5-chloropentylsulfanyl)oxane (PubChem CID 62996049) has the molecular formula C10H19ClOS and a molecular weight of 222.78 g/mol. Its IUPAC name is 4-(5-chloropentylsulfanyl)oxane.

Molecular Properties

Compound Name4-(5-chloropentylsulfanyl)oxane
PubChem CID62996049
Molecular FormulaC10H19ClOS
Molecular Weight222.78 g/mol
Exact Mass222.08
IUPAC Name4-(5-chloropentylsulfanyl)oxane
SMILESClCCCCCSC1CCOCC1
InChIInChI=1S/C10H19ClOS/c11-6-2-1-3-9-13-10-4-7-12-8-5-10/h10H,1-9H2
InChIKeyZWOWDHPYZBHKDR-UHFFFAOYSA-N
XLogP3.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.78
LogP ≤ 53.31
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 4-(5-chloropentylsulfanyl)oxane?
The IUPAC name of 4-(5-chloropentylsulfanyl)oxane (CID 62996049) is 4-(5-chloropentylsulfanyl)oxane.
What is the SMILES notation for 4-(5-chloropentylsulfanyl)oxane?
The canonical SMILES for 4-(5-chloropentylsulfanyl)oxane is ClCCCCCSC1CCOCC1.
What is the InChIKey of 4-(5-chloropentylsulfanyl)oxane?
The InChIKey is ZWOWDHPYZBHKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClOS/c11-6-2-1-3-9-13-10-4-7-12-8-5-10/h10H,1-9H2.
What are the key properties of 4-(5-chloropentylsulfanyl)oxane?
4-(5-chloropentylsulfanyl)oxane has a molecular weight of 222.78 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloropentylsulfanyl)oxane is sourced from PubChem (CID 62996049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).