9,11-dimethylspiro[5.5]undecan-3-one

C13H22O — CID 23513562

IUPAC9,11-dimethylspiro[5.5]undecan-3-one
SMILESCC1CCC2(CCC(=O)CC2)C(C)C1
InChIInChI=1S/C13H22O/c1-10-3-6-13(11(2)9-10)7-4-12(14)5-8-13/h10-11H,3-9H2,1-2H3
InChIKeyXZZRGHSODLRWGO-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.57
Rot. Bonds

About 9,11-dimethylspiro[5.5]undecan-3-one

9,11-dimethylspiro[5.5]undecan-3-one (PubChem CID 23513562) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 9,11-dimethylspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9,11-dimethylspiro[5.5]undecan-3-one
PubChem CID23513562
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name9,11-dimethylspiro[5.5]undecan-3-one
SMILESCC1CCC2(CCC(=O)CC2)C(C)C1
InChIInChI=1S/C13H22O/c1-10-3-6-13(11(2)9-10)7-4-12(14)5-8-13/h10-11H,3-9H2,1-2H3
InChIKeyXZZRGHSODLRWGO-UHFFFAOYSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9,11-dimethylspiro[5.5]undecan-3-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 9,11-dimethylspiro[5.5]undecan-3-one?
The IUPAC name of 9,11-dimethylspiro[5.5]undecan-3-one (CID 23513562) is 9,11-dimethylspiro[5.5]undecan-3-one.
What is the SMILES notation for 9,11-dimethylspiro[5.5]undecan-3-one?
The canonical SMILES for 9,11-dimethylspiro[5.5]undecan-3-one is CC1CCC2(CCC(=O)CC2)C(C)C1.
What is the InChIKey of 9,11-dimethylspiro[5.5]undecan-3-one?
The InChIKey is XZZRGHSODLRWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-10-3-6-13(11(2)9-10)7-4-12(14)5-8-13/h10-11H,3-9H2,1-2H3.
What are the key properties of 9,11-dimethylspiro[5.5]undecan-3-one?
9,11-dimethylspiro[5.5]undecan-3-one has a molecular weight of 194.32 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,11-dimethylspiro[5.5]undecan-3-one is sourced from PubChem (CID 23513562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).