2-(5-phenylsulfanylpentyl)oxane

C16H24OS — CID 23326659

IUPAC2-(5-phenylsulfanylpentyl)oxane
SMILESc1ccc(SCCCCCC2CCCCO2)cc1
InChIInChI=1S/C16H24OS/c1-4-11-16(12-5-1)18-14-8-2-3-9-15-10-6-7-13-17-15/h1,4-5,11-12,15H,2-3,6-10,13-14H2
InChIKeyHEQBBJZZCJANLP-UHFFFAOYSA-N
MW264.43 g/mol
LogP4.91
Rot. Bonds7

About 2-(5-phenylsulfanylpentyl)oxane

2-(5-phenylsulfanylpentyl)oxane (PubChem CID 23326659) has the molecular formula C16H24OS and a molecular weight of 264.43 g/mol. Its IUPAC name is 2-(5-phenylsulfanylpentyl)oxane.

Molecular Properties

Compound Name2-(5-phenylsulfanylpentyl)oxane
PubChem CID23326659
Molecular FormulaC16H24OS
Molecular Weight264.43 g/mol
Exact Mass264.15
IUPAC Name2-(5-phenylsulfanylpentyl)oxane
SMILESc1ccc(SCCCCCC2CCCCO2)cc1
InChIInChI=1S/C16H24OS/c1-4-11-16(12-5-1)18-14-8-2-3-9-15-10-6-7-13-17-15/h1,4-5,11-12,15H,2-3,6-10,13-14H2
InChIKeyHEQBBJZZCJANLP-UHFFFAOYSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-phenylsulfanylpentyl)oxane?
The IUPAC name of 2-(5-phenylsulfanylpentyl)oxane (CID 23326659) is 2-(5-phenylsulfanylpentyl)oxane.
What is the SMILES notation for 2-(5-phenylsulfanylpentyl)oxane?
The canonical SMILES for 2-(5-phenylsulfanylpentyl)oxane is c1ccc(SCCCCCC2CCCCO2)cc1.
What is the InChIKey of 2-(5-phenylsulfanylpentyl)oxane?
The InChIKey is HEQBBJZZCJANLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24OS/c1-4-11-16(12-5-1)18-14-8-2-3-9-15-10-6-7-13-17-15/h1,4-5,11-12,15H,2-3,6-10,13-14H2.
What are the key properties of 2-(5-phenylsulfanylpentyl)oxane?
2-(5-phenylsulfanylpentyl)oxane has a molecular weight of 264.43 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenylsulfanylpentyl)oxane is sourced from PubChem (CID 23326659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).