2-(6-cyclopentylsulfanylhexyl)oxolane

C15H28OS — CID 20531623

IUPAC2-(6-cyclopentylsulfanylhexyl)oxolane
SMILESC(CCCC1CCCO1)CCSC1CCCC1
InChIInChI=1S/C15H28OS/c1(3-8-14-9-7-12-16-14)2-6-13-17-15-10-4-5-11-15/h14-15H,1-13H2
InChIKeyNLLQEWVGQFNRLQ-UHFFFAOYSA-N
MW256.45 g/mol
LogP4.79
Rot. Bonds8

About 2-(6-cyclopentylsulfanylhexyl)oxolane

2-(6-cyclopentylsulfanylhexyl)oxolane (PubChem CID 20531623) has the molecular formula C15H28OS and a molecular weight of 256.45 g/mol. Its IUPAC name is 2-(6-cyclopentylsulfanylhexyl)oxolane.

Molecular Properties

Compound Name2-(6-cyclopentylsulfanylhexyl)oxolane
PubChem CID20531623
Molecular FormulaC15H28OS
Molecular Weight256.45 g/mol
Exact Mass256.19
IUPAC Name2-(6-cyclopentylsulfanylhexyl)oxolane
SMILESC(CCCC1CCCO1)CCSC1CCCC1
InChIInChI=1S/C15H28OS/c1(3-8-14-9-7-12-16-14)2-6-13-17-15-10-4-5-11-15/h14-15H,1-13H2
InChIKeyNLLQEWVGQFNRLQ-UHFFFAOYSA-N
XLogP4.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.45
LogP ≤ 54.79
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-(6-cyclopentylsulfanylhexyl)oxolane?
The IUPAC name of 2-(6-cyclopentylsulfanylhexyl)oxolane (CID 20531623) is 2-(6-cyclopentylsulfanylhexyl)oxolane.
What is the SMILES notation for 2-(6-cyclopentylsulfanylhexyl)oxolane?
The canonical SMILES for 2-(6-cyclopentylsulfanylhexyl)oxolane is C(CCCC1CCCO1)CCSC1CCCC1.
What is the InChIKey of 2-(6-cyclopentylsulfanylhexyl)oxolane?
The InChIKey is NLLQEWVGQFNRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28OS/c1(3-8-14-9-7-12-16-14)2-6-13-17-15-10-4-5-11-15/h14-15H,1-13H2.
What are the key properties of 2-(6-cyclopentylsulfanylhexyl)oxolane?
2-(6-cyclopentylsulfanylhexyl)oxolane has a molecular weight of 256.45 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclopentylsulfanylhexyl)oxolane is sourced from PubChem (CID 20531623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).