4-phenylsulfanyl-1-oxaspiro[4.5]decane

C15H20OS — CID 11482046

IUPAC4-phenylsulfanyl-1-oxaspiro[4.5]decane
SMILESc1ccc(SC2CCOC23CCCCC3)cc1
InChIInChI=1S/C15H20OS/c1-3-7-13(8-4-1)17-14-9-12-16-15(14)10-5-2-6-11-15/h1,3-4,7-8,14H,2,5-6,9-12H2
InChIKeyWRRZGCPVECQECB-UHFFFAOYSA-N
MW248.39 g/mol
LogP4.27
Rot. Bonds2

About 4-phenylsulfanyl-1-oxaspiro[4.5]decane

4-phenylsulfanyl-1-oxaspiro[4.5]decane (PubChem CID 11482046) has the molecular formula C15H20OS and a molecular weight of 248.39 g/mol. Its IUPAC name is 4-phenylsulfanyl-1-oxaspiro[4.5]decane.

Molecular Properties

Compound Name4-phenylsulfanyl-1-oxaspiro[4.5]decane
PubChem CID11482046
Molecular FormulaC15H20OS
Molecular Weight248.39 g/mol
Exact Mass248.12
IUPAC Name4-phenylsulfanyl-1-oxaspiro[4.5]decane
SMILESc1ccc(SC2CCOC23CCCCC3)cc1
InChIInChI=1S/C15H20OS/c1-3-7-13(8-4-1)17-14-9-12-16-15(14)10-5-2-6-11-15/h1,3-4,7-8,14H,2,5-6,9-12H2
InChIKeyWRRZGCPVECQECB-UHFFFAOYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenylsulfanyl-1-oxaspiro[4.5]decane?
The IUPAC name of 4-phenylsulfanyl-1-oxaspiro[4.5]decane (CID 11482046) is 4-phenylsulfanyl-1-oxaspiro[4.5]decane.
What is the SMILES notation for 4-phenylsulfanyl-1-oxaspiro[4.5]decane?
The canonical SMILES for 4-phenylsulfanyl-1-oxaspiro[4.5]decane is c1ccc(SC2CCOC23CCCCC3)cc1.
What is the InChIKey of 4-phenylsulfanyl-1-oxaspiro[4.5]decane?
The InChIKey is WRRZGCPVECQECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20OS/c1-3-7-13(8-4-1)17-14-9-12-16-15(14)10-5-2-6-11-15/h1,3-4,7-8,14H,2,5-6,9-12H2.
What are the key properties of 4-phenylsulfanyl-1-oxaspiro[4.5]decane?
4-phenylsulfanyl-1-oxaspiro[4.5]decane has a molecular weight of 248.39 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylsulfanyl-1-oxaspiro[4.5]decane is sourced from PubChem (CID 11482046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).