6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-one

C14H14O3S — CID 10901426

IUPAC6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-one
SMILESO=C1C=CC2(OCCO2)C(Sc2ccccc2)C1
InChIInChI=1S/C14H14O3S/c15-11-6-7-14(16-8-9-17-14)13(10-11)18-12-4-2-1-3-5-12/h1-7,13H,8-10H2
InChIKeyUCZZXVCKCKYUEN-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.42
Rot. Bonds2

About 6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-one

6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-one (PubChem CID 10901426) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-one.

Molecular Properties

Compound Name6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-one
PubChem CID10901426
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-one
SMILESO=C1C=CC2(OCCO2)C(Sc2ccccc2)C1
InChIInChI=1S/C14H14O3S/c15-11-6-7-14(16-8-9-17-14)13(10-11)18-12-4-2-1-3-5-12/h1-7,13H,8-10H2
InChIKeyUCZZXVCKCKYUEN-UHFFFAOYSA-N
XLogP2.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-one?
The IUPAC name of 6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-one (CID 10901426) is 6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-one.
What is the SMILES notation for 6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-one?
The canonical SMILES for 6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-one is O=C1C=CC2(OCCO2)C(Sc2ccccc2)C1.
What is the InChIKey of 6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-one?
The InChIKey is UCZZXVCKCKYUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c15-11-6-7-14(16-8-9-17-14)13(10-11)18-12-4-2-1-3-5-12/h1-7,13H,8-10H2.
What are the key properties of 6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-one?
6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-one has a molecular weight of 262.33 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-one is sourced from PubChem (CID 10901426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).