2-(9-bicyclo[3.3.1]nonanyl)ethanol

C11H20O — CID 57279526

IUPAC2-(9-bicyclo[3.3.1]nonanyl)ethanol
SMILESOCCC1C2CCCC1CCC2
InChIInChI=1S/C11H20O/c12-8-7-11-9-3-1-4-10(11)6-2-5-9/h9-12H,1-8H2
InChIKeyIWJCMOGHZDXCMQ-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.59
Rot. Bonds2

About 2-(9-bicyclo[3.3.1]nonanyl)ethanol

2-(9-bicyclo[3.3.1]nonanyl)ethanol (PubChem CID 57279526) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-(9-bicyclo[3.3.1]nonanyl)ethanol.

Molecular Properties

Compound Name2-(9-bicyclo[3.3.1]nonanyl)ethanol
PubChem CID57279526
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-(9-bicyclo[3.3.1]nonanyl)ethanol
SMILESOCCC1C2CCCC1CCC2
InChIInChI=1S/C11H20O/c12-8-7-11-9-3-1-4-10(11)6-2-5-9/h9-12H,1-8H2
InChIKeyIWJCMOGHZDXCMQ-UHFFFAOYSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(9-bicyclo[3.3.1]nonanyl)ethanol?
The IUPAC name of 2-(9-bicyclo[3.3.1]nonanyl)ethanol (CID 57279526) is 2-(9-bicyclo[3.3.1]nonanyl)ethanol.
What is the SMILES notation for 2-(9-bicyclo[3.3.1]nonanyl)ethanol?
The canonical SMILES for 2-(9-bicyclo[3.3.1]nonanyl)ethanol is OCCC1C2CCCC1CCC2.
What is the InChIKey of 2-(9-bicyclo[3.3.1]nonanyl)ethanol?
The InChIKey is IWJCMOGHZDXCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c12-8-7-11-9-3-1-4-10(11)6-2-5-9/h9-12H,1-8H2.
What are the key properties of 2-(9-bicyclo[3.3.1]nonanyl)ethanol?
2-(9-bicyclo[3.3.1]nonanyl)ethanol has a molecular weight of 168.28 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-bicyclo[3.3.1]nonanyl)ethanol is sourced from PubChem (CID 57279526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).