9,9-dimethyl-3-oxabicyclo[3.3.1]nonane

C10H18O — CID 159685606

IUPAC9,9-dimethyl-3-oxabicyclo[3.3.1]nonane
SMILESCC1(C)C2CCCC1COC2
InChIInChI=1S/C10H18O/c1-10(2)8-4-3-5-9(10)7-11-6-8/h8-9H,3-7H2,1-2H3
InChIKeyOLCSPNSCUWLDGF-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.46
Rot. Bonds

About 9,9-dimethyl-3-oxabicyclo[3.3.1]nonane

9,9-dimethyl-3-oxabicyclo[3.3.1]nonane (PubChem CID 159685606) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 9,9-dimethyl-3-oxabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9,9-dimethyl-3-oxabicyclo[3.3.1]nonane
PubChem CID159685606
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name9,9-dimethyl-3-oxabicyclo[3.3.1]nonane
SMILESCC1(C)C2CCCC1COC2
InChIInChI=1S/C10H18O/c1-10(2)8-4-3-5-9(10)7-11-6-8/h8-9H,3-7H2,1-2H3
InChIKeyOLCSPNSCUWLDGF-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-3-oxabicyclo[3.3.1]nonane?
The IUPAC name of 9,9-dimethyl-3-oxabicyclo[3.3.1]nonane (CID 159685606) is 9,9-dimethyl-3-oxabicyclo[3.3.1]nonane.
What is the SMILES notation for 9,9-dimethyl-3-oxabicyclo[3.3.1]nonane?
The canonical SMILES for 9,9-dimethyl-3-oxabicyclo[3.3.1]nonane is CC1(C)C2CCCC1COC2.
What is the InChIKey of 9,9-dimethyl-3-oxabicyclo[3.3.1]nonane?
The InChIKey is OLCSPNSCUWLDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-10(2)8-4-3-5-9(10)7-11-6-8/h8-9H,3-7H2,1-2H3.
What are the key properties of 9,9-dimethyl-3-oxabicyclo[3.3.1]nonane?
9,9-dimethyl-3-oxabicyclo[3.3.1]nonane has a molecular weight of 154.25 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-3-oxabicyclo[3.3.1]nonane is sourced from PubChem (CID 159685606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).