bicyclo[3.3.1]nonane-3,7-diol

C9H16O2 — CID 12586961

IUPACbicyclo[3.3.1]nonane-3,7-diol
SMILESOC1CC2CC(O)CC(C1)C2
InChIInChI=1S/C9H16O2/c10-8-2-6-1-7(4-8)5-9(11)3-6/h6-11H,1-5H2
InChIKeyCXFVOTPCRBXNBL-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.92
Rot. Bonds

About bicyclo[3.3.1]nonane-3,7-diol

bicyclo[3.3.1]nonane-3,7-diol (PubChem CID 12586961) has the molecular formula C9H16O2 and a molecular weight of 156.23 g/mol. Its IUPAC name is bicyclo[3.3.1]nonane-3,7-diol.

Molecular Properties

Compound Namebicyclo[3.3.1]nonane-3,7-diol
PubChem CID12586961
Molecular FormulaC9H16O2
Molecular Weight156.23 g/mol
Exact Mass156.12
IUPAC Namebicyclo[3.3.1]nonane-3,7-diol
SMILESOC1CC2CC(O)CC(C1)C2
InChIInChI=1S/C9H16O2/c10-8-2-6-1-7(4-8)5-9(11)3-6/h6-11H,1-5H2
InChIKeyCXFVOTPCRBXNBL-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 ≤ 500156.23
LogP ≤ 50.92
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-3,7-diol?
The IUPAC name of bicyclo[3.3.1]nonane-3,7-diol (CID 12586961) is bicyclo[3.3.1]nonane-3,7-diol.
What is the SMILES notation for bicyclo[3.3.1]nonane-3,7-diol?
The canonical SMILES for bicyclo[3.3.1]nonane-3,7-diol is OC1CC2CC(O)CC(C1)C2.
What is the InChIKey of bicyclo[3.3.1]nonane-3,7-diol?
The InChIKey is CXFVOTPCRBXNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c10-8-2-6-1-7(4-8)5-9(11)3-6/h6-11H,1-5H2.
What are the key properties of bicyclo[3.3.1]nonane-3,7-diol?
bicyclo[3.3.1]nonane-3,7-diol has a molecular weight of 156.23 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-3,7-diol is sourced from PubChem (CID 12586961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).