2-oxabicyclo[3.3.1]nonane

C8H14O — CID 12892749

IUPAC2-oxabicyclo[3.3.1]nonane
SMILESC1CC2CCOC(C1)C2
InChIInChI=1S/C8H14O/c1-2-7-4-5-9-8(3-1)6-7/h7-8H,1-6H2
InChIKeyQZSDSOPXNKSIJM-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.97
Rot. Bonds

About 2-oxabicyclo[3.3.1]nonane

2-oxabicyclo[3.3.1]nonane (PubChem CID 12892749) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-oxabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name2-oxabicyclo[3.3.1]nonane
PubChem CID12892749
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2-oxabicyclo[3.3.1]nonane
SMILESC1CC2CCOC(C1)C2
InChIInChI=1S/C8H14O/c1-2-7-4-5-9-8(3-1)6-7/h7-8H,1-6H2
InChIKeyQZSDSOPXNKSIJM-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

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Frequently Asked Questions

What is the IUPAC name of 2-oxabicyclo[3.3.1]nonane?
The IUPAC name of 2-oxabicyclo[3.3.1]nonane (CID 12892749) is 2-oxabicyclo[3.3.1]nonane.
What is the SMILES notation for 2-oxabicyclo[3.3.1]nonane?
The canonical SMILES for 2-oxabicyclo[3.3.1]nonane is C1CC2CCOC(C1)C2.
What is the InChIKey of 2-oxabicyclo[3.3.1]nonane?
The InChIKey is QZSDSOPXNKSIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-2-7-4-5-9-8(3-1)6-7/h7-8H,1-6H2.
What are the key properties of 2-oxabicyclo[3.3.1]nonane?
2-oxabicyclo[3.3.1]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 2-oxabicyclo[3.3.1]nonane is sourced from PubChem (CID 12892749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).