1,5-dimethyl-9-oxabicyclo[3.3.1]nonan-2-one

C10H16O2 — CID 14267341

IUPAC1,5-dimethyl-9-oxabicyclo[3.3.1]nonan-2-one
SMILESCC12CCCC(C)(O1)C(=O)CC2
InChIInChI=1S/C10H16O2/c1-9-5-3-6-10(2,12-9)8(11)4-7-9/h3-7H2,1-2H3
InChIKeyHXOSASPWYFGLMZ-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.07
Rot. Bonds

About 1,5-dimethyl-9-oxabicyclo[3.3.1]nonan-2-one

1,5-dimethyl-9-oxabicyclo[3.3.1]nonan-2-one (PubChem CID 14267341) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1,5-dimethyl-9-oxabicyclo[3.3.1]nonan-2-one.

Molecular Properties

Compound Name1,5-dimethyl-9-oxabicyclo[3.3.1]nonan-2-one
PubChem CID14267341
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1,5-dimethyl-9-oxabicyclo[3.3.1]nonan-2-one
SMILESCC12CCCC(C)(O1)C(=O)CC2
InChIInChI=1S/C10H16O2/c1-9-5-3-6-10(2,12-9)8(11)4-7-9/h3-7H2,1-2H3
InChIKeyHXOSASPWYFGLMZ-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-9-oxabicyclo[3.3.1]nonan-2-one?
The IUPAC name of 1,5-dimethyl-9-oxabicyclo[3.3.1]nonan-2-one (CID 14267341) is 1,5-dimethyl-9-oxabicyclo[3.3.1]nonan-2-one.
What is the SMILES notation for 1,5-dimethyl-9-oxabicyclo[3.3.1]nonan-2-one?
The canonical SMILES for 1,5-dimethyl-9-oxabicyclo[3.3.1]nonan-2-one is CC12CCCC(C)(O1)C(=O)CC2.
What is the InChIKey of 1,5-dimethyl-9-oxabicyclo[3.3.1]nonan-2-one?
The InChIKey is HXOSASPWYFGLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-9-5-3-6-10(2,12-9)8(11)4-7-9/h3-7H2,1-2H3.
What are the key properties of 1,5-dimethyl-9-oxabicyclo[3.3.1]nonan-2-one?
1,5-dimethyl-9-oxabicyclo[3.3.1]nonan-2-one has a molecular weight of 168.24 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-9-oxabicyclo[3.3.1]nonan-2-one is sourced from PubChem (CID 14267341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).