(1S,2R,5S,6R)-bicyclo[3.3.1]nonane-2,6-diol

C9H16O2 — CID 11008169

IUPAC(1S,2R,5S,6R)-bicyclo[3.3.1]nonane-2,6-diol
SMILESO[C@@H]1CC[C@H]2C[C@@H]1CC[C@H]2O
InChIInChI=1S/C9H16O2/c10-8-3-1-6-5-7(8)2-4-9(6)11/h6-11H,1-5H2/t6-,7-,8+,9+/m0/s1
InChIKeyZAFAKOTZLSQTTI-RBXMUDONSA-N
MW156.22 g/mol
LogP0.92
Rot. Bonds

About (1S,2R,5S,6R)-bicyclo[3.3.1]nonane-2,6-diol

(1S,2R,5S,6R)-bicyclo[3.3.1]nonane-2,6-diol (PubChem CID 11008169) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (1S,2R,5S,6R)-bicyclo[3.3.1]nonane-2,6-diol.

Molecular Properties

Compound Name(1S,2R,5S,6R)-bicyclo[3.3.1]nonane-2,6-diol
PubChem CID11008169
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(1S,2R,5S,6R)-bicyclo[3.3.1]nonane-2,6-diol
SMILESO[C@@H]1CC[C@H]2C[C@@H]1CC[C@H]2O
InChIInChI=1S/C9H16O2/c10-8-3-1-6-5-7(8)2-4-9(6)11/h6-11H,1-5H2/t6-,7-,8+,9+/m0/s1
InChIKeyZAFAKOTZLSQTTI-RBXMUDONSA-N
XLogP0.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S,6R)-bicyclo[3.3.1]nonane-2,6-diol?
The IUPAC name of (1S,2R,5S,6R)-bicyclo[3.3.1]nonane-2,6-diol (CID 11008169) is (1S,2R,5S,6R)-bicyclo[3.3.1]nonane-2,6-diol.
What is the SMILES notation for (1S,2R,5S,6R)-bicyclo[3.3.1]nonane-2,6-diol?
The canonical SMILES for (1S,2R,5S,6R)-bicyclo[3.3.1]nonane-2,6-diol is O[C@@H]1CC[C@H]2C[C@@H]1CC[C@H]2O.
What is the InChIKey of (1S,2R,5S,6R)-bicyclo[3.3.1]nonane-2,6-diol?
The InChIKey is ZAFAKOTZLSQTTI-RBXMUDONSA-N. The full InChI is InChI=1S/C9H16O2/c10-8-3-1-6-5-7(8)2-4-9(6)11/h6-11H,1-5H2/t6-,7-,8+,9+/m0/s1.
What are the key properties of (1S,2R,5S,6R)-bicyclo[3.3.1]nonane-2,6-diol?
(1S,2R,5S,6R)-bicyclo[3.3.1]nonane-2,6-diol has a molecular weight of 156.22 g/mol, XLogP of 0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S,6R)-bicyclo[3.3.1]nonane-2,6-diol is sourced from PubChem (CID 11008169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).