9,9-dimethyl-2-oxaspiro[4.4]nonan-1-one

C10H16O2 — CID 10352086

IUPAC9,9-dimethyl-2-oxaspiro[4.4]nonan-1-one
SMILESCC1(C)CCCC12CCOC2=O
InChIInChI=1S/C10H16O2/c1-9(2)4-3-5-10(9)6-7-12-8(10)11/h3-7H2,1-2H3
InChIKeyFHWLTPUPKBUBCF-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.13
Rot. Bonds

About 9,9-dimethyl-2-oxaspiro[4.4]nonan-1-one

9,9-dimethyl-2-oxaspiro[4.4]nonan-1-one (PubChem CID 10352086) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 9,9-dimethyl-2-oxaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name9,9-dimethyl-2-oxaspiro[4.4]nonan-1-one
PubChem CID10352086
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name9,9-dimethyl-2-oxaspiro[4.4]nonan-1-one
SMILESCC1(C)CCCC12CCOC2=O
InChIInChI=1S/C10H16O2/c1-9(2)4-3-5-10(9)6-7-12-8(10)11/h3-7H2,1-2H3
InChIKeyFHWLTPUPKBUBCF-UHFFFAOYSA-N
XLogP2.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,9-dimethyl-2-oxaspiro[4.4]nonan-1-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 9,9-dimethyl-2-oxaspiro[4.4]nonan-1-one?
The IUPAC name of 9,9-dimethyl-2-oxaspiro[4.4]nonan-1-one (CID 10352086) is 9,9-dimethyl-2-oxaspiro[4.4]nonan-1-one.
What is the SMILES notation for 9,9-dimethyl-2-oxaspiro[4.4]nonan-1-one?
The canonical SMILES for 9,9-dimethyl-2-oxaspiro[4.4]nonan-1-one is CC1(C)CCCC12CCOC2=O.
What is the InChIKey of 9,9-dimethyl-2-oxaspiro[4.4]nonan-1-one?
The InChIKey is FHWLTPUPKBUBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-9(2)4-3-5-10(9)6-7-12-8(10)11/h3-7H2,1-2H3.
What are the key properties of 9,9-dimethyl-2-oxaspiro[4.4]nonan-1-one?
9,9-dimethyl-2-oxaspiro[4.4]nonan-1-one has a molecular weight of 168.24 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-2-oxaspiro[4.4]nonan-1-one is sourced from PubChem (CID 10352086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).