1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylsulfanylethanone

C17H22O2S — CID 79921710

IUPAC1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylsulfanylethanone
SMILESO=C(CSc1ccccc1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H22O2S/c18-16(13-20-15-6-2-1-3-7-15)14-8-11-19-17(12-14)9-4-5-10-17/h1-3,6-7,14H,4-5,8-13H2
InChIKeyVORWCHILDGESKL-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.09
Rot. Bonds4

About 1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylsulfanylethanone

1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylsulfanylethanone (PubChem CID 79921710) has the molecular formula C17H22O2S and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylsulfanylethanone
PubChem CID79921710
Molecular FormulaC17H22O2S
Molecular Weight290.43 g/mol
Exact Mass290.13
IUPAC Name1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylsulfanylethanone
SMILESO=C(CSc1ccccc1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H22O2S/c18-16(13-20-15-6-2-1-3-7-15)14-8-11-19-17(12-14)9-4-5-10-17/h1-3,6-7,14H,4-5,8-13H2
InChIKeyVORWCHILDGESKL-UHFFFAOYSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylsulfanylethanone 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 1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylsulfanylethanone?
The IUPAC name of 1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylsulfanylethanone (CID 79921710) is 1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylsulfanylethanone.
What is the SMILES notation for 1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylsulfanylethanone?
The canonical SMILES for 1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylsulfanylethanone is O=C(CSc1ccccc1)C1CCOC2(CCCC2)C1.
What is the InChIKey of 1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylsulfanylethanone?
The InChIKey is VORWCHILDGESKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2S/c18-16(13-20-15-6-2-1-3-7-15)14-8-11-19-17(12-14)9-4-5-10-17/h1-3,6-7,14H,4-5,8-13H2.
What are the key properties of 1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylsulfanylethanone?
1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylsulfanylethanone has a molecular weight of 290.43 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylsulfanylethanone is sourced from PubChem (CID 79921710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).