bicyclo[3.3.1]nonane-1,2-diol

C9H16O2 — CID 14119595

IUPACbicyclo[3.3.1]nonane-1,2-diol
SMILESOC1CCC2CCCC1(O)C2
InChIInChI=1S/C9H16O2/c10-8-4-3-7-2-1-5-9(8,11)6-7/h7-8,10-11H,1-6H2
InChIKeyNUWXWGRTEXUDEA-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.06
Rot. Bonds

About bicyclo[3.3.1]nonane-1,2-diol

bicyclo[3.3.1]nonane-1,2-diol (PubChem CID 14119595) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is bicyclo[3.3.1]nonane-1,2-diol.

Molecular Properties

Compound Namebicyclo[3.3.1]nonane-1,2-diol
PubChem CID14119595
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Namebicyclo[3.3.1]nonane-1,2-diol
SMILESOC1CCC2CCCC1(O)C2
InChIInChI=1S/C9H16O2/c10-8-4-3-7-2-1-5-9(8,11)6-7/h7-8,10-11H,1-6H2
InChIKeyNUWXWGRTEXUDEA-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bicyclo[3.3.1]nonane-1,2-diol?
The IUPAC name of bicyclo[3.3.1]nonane-1,2-diol (CID 14119595) is bicyclo[3.3.1]nonane-1,2-diol.
What is the SMILES notation for bicyclo[3.3.1]nonane-1,2-diol?
The canonical SMILES for bicyclo[3.3.1]nonane-1,2-diol is OC1CCC2CCCC1(O)C2.
What is the InChIKey of bicyclo[3.3.1]nonane-1,2-diol?
The InChIKey is NUWXWGRTEXUDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c10-8-4-3-7-2-1-5-9(8,11)6-7/h7-8,10-11H,1-6H2.
What are the key properties of bicyclo[3.3.1]nonane-1,2-diol?
bicyclo[3.3.1]nonane-1,2-diol has a molecular weight of 156.22 g/mol, XLogP of 1.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.3.1]nonane-1,2-diol is sourced from PubChem (CID 14119595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).