9-oxatricyclo[3.3.1.01,3]nonane

C8H12O — CID 77469153

IUPAC9-oxatricyclo[3.3.1.01,3]nonane
SMILESC1CC2CC3CC3(C1)O2
InChIInChI=1S/C8H12O/c1-2-7-4-6-5-8(6,3-1)9-7/h6-7H,1-5H2
InChIKeyFWYJWAHDELJZQF-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.72
Rot. Bonds

About 9-oxatricyclo[3.3.1.01,3]nonane

9-oxatricyclo[3.3.1.01,3]nonane (PubChem CID 77469153) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 9-oxatricyclo[3.3.1.01,3]nonane.

Molecular Properties

Compound Name9-oxatricyclo[3.3.1.01,3]nonane
PubChem CID77469153
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name9-oxatricyclo[3.3.1.01,3]nonane
SMILESC1CC2CC3CC3(C1)O2
InChIInChI=1S/C8H12O/c1-2-7-4-6-5-8(6,3-1)9-7/h6-7H,1-5H2
InChIKeyFWYJWAHDELJZQF-UHFFFAOYSA-N
XLogP1.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-oxatricyclo[3.3.1.01,3]nonane?
The IUPAC name of 9-oxatricyclo[3.3.1.01,3]nonane (CID 77469153) is 9-oxatricyclo[3.3.1.01,3]nonane.
What is the SMILES notation for 9-oxatricyclo[3.3.1.01,3]nonane?
The canonical SMILES for 9-oxatricyclo[3.3.1.01,3]nonane is C1CC2CC3CC3(C1)O2.
What is the InChIKey of 9-oxatricyclo[3.3.1.01,3]nonane?
The InChIKey is FWYJWAHDELJZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-2-7-4-6-5-8(6,3-1)9-7/h6-7H,1-5H2.
What are the key properties of 9-oxatricyclo[3.3.1.01,3]nonane?
9-oxatricyclo[3.3.1.01,3]nonane has a molecular weight of 124.18 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxatricyclo[3.3.1.01,3]nonane is sourced from PubChem (CID 77469153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).