9,9-dimethyl-6-phenyl-7-oxaspiro[4.5]decane-8,10-dione

C17H20O3 — CID 2940482

IUPAC9,9-dimethyl-6-phenyl-7-oxaspiro[4.5]decane-8,10-dione
SMILESCC1(C)C(=O)OC(c2ccccc2)C2(CCCC2)C1=O
InChIInChI=1S/C17H20O3/c1-16(2)14(18)17(10-6-7-11-17)13(20-15(16)19)12-8-4-3-5-9-12/h3-5,8-9,13H,6-7,10-11H2,1-2H3
InChIKeyPFJFHUNWZFIBTH-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.44
Rot. Bonds1

About 9,9-dimethyl-6-phenyl-7-oxaspiro[4.5]decane-8,10-dione

9,9-dimethyl-6-phenyl-7-oxaspiro[4.5]decane-8,10-dione (PubChem CID 2940482) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 9,9-dimethyl-6-phenyl-7-oxaspiro[4.5]decane-8,10-dione.

Molecular Properties

Compound Name9,9-dimethyl-6-phenyl-7-oxaspiro[4.5]decane-8,10-dione
PubChem CID2940482
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name9,9-dimethyl-6-phenyl-7-oxaspiro[4.5]decane-8,10-dione
SMILESCC1(C)C(=O)OC(c2ccccc2)C2(CCCC2)C1=O
InChIInChI=1S/C17H20O3/c1-16(2)14(18)17(10-6-7-11-17)13(20-15(16)19)12-8-4-3-5-9-12/h3-5,8-9,13H,6-7,10-11H2,1-2H3
InChIKeyPFJFHUNWZFIBTH-UHFFFAOYSA-N
XLogP3.44
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 9,9-dimethyl-6-phenyl-7-oxaspiro[4.5]decane-8,10-dione 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 9,9-dimethyl-6-phenyl-7-oxaspiro[4.5]decane-8,10-dione?
The IUPAC name of 9,9-dimethyl-6-phenyl-7-oxaspiro[4.5]decane-8,10-dione (CID 2940482) is 9,9-dimethyl-6-phenyl-7-oxaspiro[4.5]decane-8,10-dione.
What is the SMILES notation for 9,9-dimethyl-6-phenyl-7-oxaspiro[4.5]decane-8,10-dione?
The canonical SMILES for 9,9-dimethyl-6-phenyl-7-oxaspiro[4.5]decane-8,10-dione is CC1(C)C(=O)OC(c2ccccc2)C2(CCCC2)C1=O.
What is the InChIKey of 9,9-dimethyl-6-phenyl-7-oxaspiro[4.5]decane-8,10-dione?
The InChIKey is PFJFHUNWZFIBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-16(2)14(18)17(10-6-7-11-17)13(20-15(16)19)12-8-4-3-5-9-12/h3-5,8-9,13H,6-7,10-11H2,1-2H3.
What are the key properties of 9,9-dimethyl-6-phenyl-7-oxaspiro[4.5]decane-8,10-dione?
9,9-dimethyl-6-phenyl-7-oxaspiro[4.5]decane-8,10-dione has a molecular weight of 272.34 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-6-phenyl-7-oxaspiro[4.5]decane-8,10-dione is sourced from PubChem (CID 2940482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).