4-phenylsulfanyl-1-oxaspiro[4.5]dec-3-en-2-one

C15H16O2S — CID 10848938

IUPAC4-phenylsulfanyl-1-oxaspiro[4.5]dec-3-en-2-one
SMILESO=C1C=C(Sc2ccccc2)C2(CCCCC2)O1
InChIInChI=1S/C15H16O2S/c16-14-11-13(18-12-7-3-1-4-8-12)15(17-14)9-5-2-6-10-15/h1,3-4,7-8,11H,2,5-6,9-10H2
InChIKeyGYGWDGCHVQMFDP-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.92
Rot. Bonds2

About 4-phenylsulfanyl-1-oxaspiro[4.5]dec-3-en-2-one

4-phenylsulfanyl-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 10848938) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-phenylsulfanyl-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-phenylsulfanyl-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID10848938
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name4-phenylsulfanyl-1-oxaspiro[4.5]dec-3-en-2-one
SMILESO=C1C=C(Sc2ccccc2)C2(CCCCC2)O1
InChIInChI=1S/C15H16O2S/c16-14-11-13(18-12-7-3-1-4-8-12)15(17-14)9-5-2-6-10-15/h1,3-4,7-8,11H,2,5-6,9-10H2
InChIKeyGYGWDGCHVQMFDP-UHFFFAOYSA-N
XLogP3.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenylsulfanyl-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-phenylsulfanyl-1-oxaspiro[4.5]dec-3-en-2-one (CID 10848938) is 4-phenylsulfanyl-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-phenylsulfanyl-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-phenylsulfanyl-1-oxaspiro[4.5]dec-3-en-2-one is O=C1C=C(Sc2ccccc2)C2(CCCCC2)O1.
What is the InChIKey of 4-phenylsulfanyl-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is GYGWDGCHVQMFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c16-14-11-13(18-12-7-3-1-4-8-12)15(17-14)9-5-2-6-10-15/h1,3-4,7-8,11H,2,5-6,9-10H2.
What are the key properties of 4-phenylsulfanyl-1-oxaspiro[4.5]dec-3-en-2-one?
4-phenylsulfanyl-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 260.36 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylsulfanyl-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 10848938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).