7-oxabicyclo[4.2.1]nonane

C8H14O — CID 13240726

IUPAC7-oxabicyclo[4.2.1]nonane
SMILESC1CCC2CC(C1)CO2
InChIInChI=1S/C8H14O/c1-2-4-8-5-7(3-1)6-9-8/h7-8H,1-6H2
InChIKeyRCYHNDKFKJYFPR-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.97
Rot. Bonds

About 7-oxabicyclo[4.2.1]nonane

7-oxabicyclo[4.2.1]nonane (PubChem CID 13240726) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 7-oxabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name7-oxabicyclo[4.2.1]nonane
PubChem CID13240726
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name7-oxabicyclo[4.2.1]nonane
SMILESC1CCC2CC(C1)CO2
InChIInChI=1S/C8H14O/c1-2-4-8-5-7(3-1)6-9-8/h7-8H,1-6H2
InChIKeyRCYHNDKFKJYFPR-UHFFFAOYSA-N
XLogP1.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-oxabicyclo[4.2.1]nonane 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 7-oxabicyclo[4.2.1]nonane?
The IUPAC name of 7-oxabicyclo[4.2.1]nonane (CID 13240726) is 7-oxabicyclo[4.2.1]nonane.
What is the SMILES notation for 7-oxabicyclo[4.2.1]nonane?
The canonical SMILES for 7-oxabicyclo[4.2.1]nonane is C1CCC2CC(C1)CO2.
What is the InChIKey of 7-oxabicyclo[4.2.1]nonane?
The InChIKey is RCYHNDKFKJYFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-2-4-8-5-7(3-1)6-9-8/h7-8H,1-6H2.
What are the key properties of 7-oxabicyclo[4.2.1]nonane?
7-oxabicyclo[4.2.1]nonane has a molecular weight of 126.20 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxabicyclo[4.2.1]nonane is sourced from PubChem (CID 13240726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).