(1S,2R,5R,6R)-9-oxabicyclo[4.2.1]nonane-2,5-diol

C8H14O3 — CID 93481856

IUPAC(1S,2R,5R,6R)-9-oxabicyclo[4.2.1]nonane-2,5-diol
SMILESO[C@@H]1CC[C@@H](O)[C@H]2CC[C@@H]1O2
InChIInChI=1S/C8H14O3/c9-5-1-2-6(10)8-4-3-7(5)11-8/h5-10H,1-4H2/t5-,6-,7-,8+/m1/s1
InChIKeyGJZQHDOUUCAZHY-XUTVFYLZSA-N
MW158.20 g/mol
LogP0.05
Rot. Bonds

About (1S,2R,5R,6R)-9-oxabicyclo[4.2.1]nonane-2,5-diol

(1S,2R,5R,6R)-9-oxabicyclo[4.2.1]nonane-2,5-diol (PubChem CID 93481856) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (1S,2R,5R,6R)-9-oxabicyclo[4.2.1]nonane-2,5-diol.

Molecular Properties

Compound Name(1S,2R,5R,6R)-9-oxabicyclo[4.2.1]nonane-2,5-diol
PubChem CID93481856
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(1S,2R,5R,6R)-9-oxabicyclo[4.2.1]nonane-2,5-diol
SMILESO[C@@H]1CC[C@@H](O)[C@H]2CC[C@@H]1O2
InChIInChI=1S/C8H14O3/c9-5-1-2-6(10)8-4-3-7(5)11-8/h5-10H,1-4H2/t5-,6-,7-,8+/m1/s1
InChIKeyGJZQHDOUUCAZHY-XUTVFYLZSA-N
XLogP0.05
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R,6R)-9-oxabicyclo[4.2.1]nonane-2,5-diol?
The IUPAC name of (1S,2R,5R,6R)-9-oxabicyclo[4.2.1]nonane-2,5-diol (CID 93481856) is (1S,2R,5R,6R)-9-oxabicyclo[4.2.1]nonane-2,5-diol.
What is the SMILES notation for (1S,2R,5R,6R)-9-oxabicyclo[4.2.1]nonane-2,5-diol?
The canonical SMILES for (1S,2R,5R,6R)-9-oxabicyclo[4.2.1]nonane-2,5-diol is O[C@@H]1CC[C@@H](O)[C@H]2CC[C@@H]1O2.
What is the InChIKey of (1S,2R,5R,6R)-9-oxabicyclo[4.2.1]nonane-2,5-diol?
The InChIKey is GJZQHDOUUCAZHY-XUTVFYLZSA-N. The full InChI is InChI=1S/C8H14O3/c9-5-1-2-6(10)8-4-3-7(5)11-8/h5-10H,1-4H2/t5-,6-,7-,8+/m1/s1.
What are the key properties of (1S,2R,5R,6R)-9-oxabicyclo[4.2.1]nonane-2,5-diol?
(1S,2R,5R,6R)-9-oxabicyclo[4.2.1]nonane-2,5-diol has a molecular weight of 158.20 g/mol, XLogP of 0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R,6R)-9-oxabicyclo[4.2.1]nonane-2,5-diol is sourced from PubChem (CID 93481856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).