5,9-dimethylspiro[3.5]nonan-3-one

C11H18O — CID 565509

IUPAC5,9-dimethylspiro[3.5]nonan-3-one
SMILESCC1CCCC(C)C12CCC2=O
InChIInChI=1S/C11H18O/c1-8-4-3-5-9(2)11(8)7-6-10(11)12/h8-9H,3-7H2,1-2H3
InChIKeyQNLJOJYCIDXOSW-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.79
Rot. Bonds

About 5,9-dimethylspiro[3.5]nonan-3-one

5,9-dimethylspiro[3.5]nonan-3-one (PubChem CID 565509) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 5,9-dimethylspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name5,9-dimethylspiro[3.5]nonan-3-one
PubChem CID565509
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name5,9-dimethylspiro[3.5]nonan-3-one
SMILESCC1CCCC(C)C12CCC2=O
InChIInChI=1S/C11H18O/c1-8-4-3-5-9(2)11(8)7-6-10(11)12/h8-9H,3-7H2,1-2H3
InChIKeyQNLJOJYCIDXOSW-UHFFFAOYSA-N
XLogP2.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,9-dimethylspiro[3.5]nonan-3-one?
The IUPAC name of 5,9-dimethylspiro[3.5]nonan-3-one (CID 565509) is 5,9-dimethylspiro[3.5]nonan-3-one.
What is the SMILES notation for 5,9-dimethylspiro[3.5]nonan-3-one?
The canonical SMILES for 5,9-dimethylspiro[3.5]nonan-3-one is CC1CCCC(C)C12CCC2=O.
What is the InChIKey of 5,9-dimethylspiro[3.5]nonan-3-one?
The InChIKey is QNLJOJYCIDXOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-8-4-3-5-9(2)11(8)7-6-10(11)12/h8-9H,3-7H2,1-2H3.
What are the key properties of 5,9-dimethylspiro[3.5]nonan-3-one?
5,9-dimethylspiro[3.5]nonan-3-one has a molecular weight of 166.26 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dimethylspiro[3.5]nonan-3-one is sourced from PubChem (CID 565509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).