bicyclo[3.3.1]nonan-9-ol

C9H16O — CID 557281

IUPACbicyclo[3.3.1]nonan-9-ol
SMILESOC1C2CCCC1CCC2
InChIInChI=1S/C9H16O/c10-9-7-3-1-4-8(9)6-2-5-7/h7-10H,1-6H2
InChIKeyFCEAXXVYZXAQHQ-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.95
Rot. Bonds

About bicyclo[3.3.1]nonan-9-ol

bicyclo[3.3.1]nonan-9-ol (PubChem CID 557281) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is bicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Namebicyclo[3.3.1]nonan-9-ol
PubChem CID557281
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Namebicyclo[3.3.1]nonan-9-ol
SMILESOC1C2CCCC1CCC2
InChIInChI=1S/C9H16O/c10-9-7-3-1-4-8(9)6-2-5-7/h7-10H,1-6H2
InChIKeyFCEAXXVYZXAQHQ-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bicyclo[3.3.1]nonan-9-ol?
The IUPAC name of bicyclo[3.3.1]nonan-9-ol (CID 557281) is bicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for bicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for bicyclo[3.3.1]nonan-9-ol is OC1C2CCCC1CCC2.
What is the InChIKey of bicyclo[3.3.1]nonan-9-ol?
The InChIKey is FCEAXXVYZXAQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c10-9-7-3-1-4-8(9)6-2-5-7/h7-10H,1-6H2.
What are the key properties of bicyclo[3.3.1]nonan-9-ol?
bicyclo[3.3.1]nonan-9-ol has a molecular weight of 140.23 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 557281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).