(1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-ol

C8H12O2 — CID 11263529

IUPAC(1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-ol
SMILESO[C@@H]1CC[C@@H]2C=CC[C@H]1O2
InChIInChI=1S/C8H12O2/c9-7-5-4-6-2-1-3-8(7)10-6/h1-2,6-9H,3-5H2/t6-,7+,8+/m0/s1
InChIKeyGVFZEYUGMDHNHE-XLPZGREQSA-N
MW140.18 g/mol
LogP0.85
Rot. Bonds

About (1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-ol

(1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-ol (PubChem CID 11263529) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-ol.

Molecular Properties

Compound Name(1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-ol
PubChem CID11263529
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-ol
SMILESO[C@@H]1CC[C@@H]2C=CC[C@H]1O2
InChIInChI=1S/C8H12O2/c9-7-5-4-6-2-1-3-8(7)10-6/h1-2,6-9H,3-5H2/t6-,7+,8+/m0/s1
InChIKeyGVFZEYUGMDHNHE-XLPZGREQSA-N
XLogP0.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-ol?
The IUPAC name of (1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-ol (CID 11263529) is (1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-ol.
What is the SMILES notation for (1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-ol?
The canonical SMILES for (1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-ol is O[C@@H]1CC[C@@H]2C=CC[C@H]1O2.
What is the InChIKey of (1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-ol?
The InChIKey is GVFZEYUGMDHNHE-XLPZGREQSA-N. The full InChI is InChI=1S/C8H12O2/c9-7-5-4-6-2-1-3-8(7)10-6/h1-2,6-9H,3-5H2/t6-,7+,8+/m0/s1.
What are the key properties of (1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-ol?
(1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-ol has a molecular weight of 140.18 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-ol is sourced from PubChem (CID 11263529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).