2-(5-chloropentylsulfanyl)oxane

C10H19ClOS — CID 11106965

IUPAC2-(5-chloropentylsulfanyl)oxane
SMILESClCCCCCSC1CCCCO1
InChIInChI=1S/C10H19ClOS/c11-7-3-1-5-9-13-10-6-2-4-8-12-10/h10H,1-9H2
InChIKeyQVIKZLHCNFTCQC-UHFFFAOYSA-N
MW222.78 g/mol
LogP3.66
Rot. Bonds6

About 2-(5-chloropentylsulfanyl)oxane

2-(5-chloropentylsulfanyl)oxane (PubChem CID 11106965) has the molecular formula C10H19ClOS and a molecular weight of 222.78 g/mol. Its IUPAC name is 2-(5-chloropentylsulfanyl)oxane.

Molecular Properties

Compound Name2-(5-chloropentylsulfanyl)oxane
PubChem CID11106965
Molecular FormulaC10H19ClOS
Molecular Weight222.78 g/mol
Exact Mass222.08
IUPAC Name2-(5-chloropentylsulfanyl)oxane
SMILESClCCCCCSC1CCCCO1
InChIInChI=1S/C10H19ClOS/c11-7-3-1-5-9-13-10-6-2-4-8-12-10/h10H,1-9H2
InChIKeyQVIKZLHCNFTCQC-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
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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Related Compounds

1-Chloro-3-methylsulfanyl-1-propoxyhexane
CID 17879714
2-(2-Chloroethylthio)tetrahydropyran
CID 19593895
2-(1-Chloro-2-methylpropan-2-yl)sulfanyloxane
CID 19593912
2-(2-Chloro-2-methylpropyl)sulfanyloxane
CID 19593919
1-Chloro-6-(3-methylsulfanylpropoxy)hexane
CID 22568258
2-(3-Chloro-2-methylpropyl)sulfanyloxane
CID 139789286
4-(2-Chloroethylsulfanyl)oxane
CID 62995865
4-(5-Chloropentylsulfanyl)oxane
CID 62996049
4-(3-Chloropropylsulfanyl)oxane
CID 62996051
4-(6-Chlorohexylsulfanyl)oxane
CID 62996052
4-(5-Chloropentylsulfonyl)oxane
CID 62996054
4-(4-Chlorobutylsulfanyl)oxane
CID 62996234

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloropentylsulfanyl)oxane?
The IUPAC name of 2-(5-chloropentylsulfanyl)oxane (CID 11106965) is 2-(5-chloropentylsulfanyl)oxane.
What is the SMILES notation for 2-(5-chloropentylsulfanyl)oxane?
The canonical SMILES for 2-(5-chloropentylsulfanyl)oxane is ClCCCCCSC1CCCCO1.
What is the InChIKey of 2-(5-chloropentylsulfanyl)oxane?
The InChIKey is QVIKZLHCNFTCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClOS/c11-7-3-1-5-9-13-10-6-2-4-8-12-10/h10H,1-9H2.
What are the key properties of 2-(5-chloropentylsulfanyl)oxane?
2-(5-chloropentylsulfanyl)oxane has a molecular weight of 222.78 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloropentylsulfanyl)oxane is sourced from PubChem (CID 11106965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).