bicyclo[3.3.1]nonane-2,6-diol

C9H16O2 — CID 565028

IUPACbicyclo[3.3.1]nonane-2,6-diol
SMILESOC1CCC2CC1CCC2O
InChIInChI=1S/C9H16O2/c10-8-3-1-6-5-7(8)2-4-9(6)11/h6-11H,1-5H2
InChIKeyZAFAKOTZLSQTTI-UHFFFAOYSA-N
MW156.22 g/mol
LogP0.92
Rot. Bonds

About bicyclo[3.3.1]nonane-2,6-diol

bicyclo[3.3.1]nonane-2,6-diol (PubChem CID 565028) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is bicyclo[3.3.1]nonane-2,6-diol.

Molecular Properties

Compound Namebicyclo[3.3.1]nonane-2,6-diol
PubChem CID565028
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Namebicyclo[3.3.1]nonane-2,6-diol
SMILESOC1CCC2CC1CCC2O
InChIInChI=1S/C9H16O2/c10-8-3-1-6-5-7(8)2-4-9(6)11/h6-11H,1-5H2
InChIKeyZAFAKOTZLSQTTI-UHFFFAOYSA-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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Related Compounds

Cyclohexanol, 4-(cyclohexylmethyl)-
CID 249489
Bicyclo[3.3.1]nonan-3-ol
CID 277085
7-(Hydroxymethyl)bicyclo[3.3.1]nonan-3-ol
CID 5130443
Adamantane-2,6-diol
CID 591391
Bicyclo(3.3.1)nonan-2-ol
CID 557157
Bicyclo(3.3.1)nonan-9-ol
CID 557281
Cyclohexanepropanol, 2-hydroxy-
CID 566185
(1S,2R,5S,6R)-bicyclo[3.3.1]nonane-2,6-diol
CID 11008169
Bicyclo[3.3.1]nonane-3,7-diol
CID 12586961
2-(Cyclohexylmethyl)cyclohexan-1-ol
CID 61748994
2,2'-Methylenebis(4-methylcyclohexanol)
CID 66806100
2-[Cyclohexyl(hydroxy)methyl]cyclohexan-1-ol
CID 72201247

Frequently Asked Questions

What is the IUPAC name of bicyclo[3.3.1]nonane-2,6-diol?
The IUPAC name of bicyclo[3.3.1]nonane-2,6-diol (CID 565028) is bicyclo[3.3.1]nonane-2,6-diol.
What is the SMILES notation for bicyclo[3.3.1]nonane-2,6-diol?
The canonical SMILES for bicyclo[3.3.1]nonane-2,6-diol is OC1CCC2CC1CCC2O.
What is the InChIKey of bicyclo[3.3.1]nonane-2,6-diol?
The InChIKey is ZAFAKOTZLSQTTI-UHFFFAOYSA-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.
What are the key properties of bicyclo[3.3.1]nonane-2,6-diol?
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 bicyclo[3.3.1]nonane-2,6-diol is sourced from PubChem (CID 565028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).