2-[3-(cyclohexylmethylsulfanyl)butyl]oxolane

C15H28OS — CID 70541596

IUPAC2-[3-(cyclohexylmethylsulfanyl)butyl]oxolane
SMILESCC(CCC1CCCO1)SCC1CCCCC1
InChIInChI=1S/C15H28OS/c1-13(9-10-15-8-5-11-16-15)17-12-14-6-3-2-4-7-14/h13-15H,2-12H2,1H3
InChIKeyJRUIPSIZJFLYGC-UHFFFAOYSA-N
MW256.45 g/mol
LogP4.65
Rot. Bonds6

About 2-[3-(cyclohexylmethylsulfanyl)butyl]oxolane

2-[3-(cyclohexylmethylsulfanyl)butyl]oxolane (PubChem CID 70541596) has the molecular formula C15H28OS and a molecular weight of 256.45 g/mol. Its IUPAC name is 2-[3-(cyclohexylmethylsulfanyl)butyl]oxolane.

Molecular Properties

Compound Name2-[3-(cyclohexylmethylsulfanyl)butyl]oxolane
PubChem CID70541596
Molecular FormulaC15H28OS
Molecular Weight256.45 g/mol
Exact Mass256.19
IUPAC Name2-[3-(cyclohexylmethylsulfanyl)butyl]oxolane
SMILESCC(CCC1CCCO1)SCC1CCCCC1
InChIInChI=1S/C15H28OS/c1-13(9-10-15-8-5-11-16-15)17-12-14-6-3-2-4-7-14/h13-15H,2-12H2,1H3
InChIKeyJRUIPSIZJFLYGC-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.45
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexylmethylsulfanyl)butyl]oxolane?
The IUPAC name of 2-[3-(cyclohexylmethylsulfanyl)butyl]oxolane (CID 70541596) is 2-[3-(cyclohexylmethylsulfanyl)butyl]oxolane.
What is the SMILES notation for 2-[3-(cyclohexylmethylsulfanyl)butyl]oxolane?
The canonical SMILES for 2-[3-(cyclohexylmethylsulfanyl)butyl]oxolane is CC(CCC1CCCO1)SCC1CCCCC1.
What is the InChIKey of 2-[3-(cyclohexylmethylsulfanyl)butyl]oxolane?
The InChIKey is JRUIPSIZJFLYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28OS/c1-13(9-10-15-8-5-11-16-15)17-12-14-6-3-2-4-7-14/h13-15H,2-12H2,1H3.
What are the key properties of 2-[3-(cyclohexylmethylsulfanyl)butyl]oxolane?
2-[3-(cyclohexylmethylsulfanyl)butyl]oxolane has a molecular weight of 256.45 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexylmethylsulfanyl)butyl]oxolane is sourced from PubChem (CID 70541596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).