9-tert-butylbicyclo[3.3.1]nonane

C13H24 — CID 59813982

IUPAC9-tert-butylbicyclo[3.3.1]nonane
SMILESCC(C)(C)C1C2CCCC1CCC2
InChIInChI=1S/C13H24/c1-13(2,3)12-10-6-4-7-11(12)9-5-8-10/h10-12H,4-9H2,1-3H3
InChIKeyIWNOWPSLSDRMFC-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.25
Rot. Bonds

About 9-tert-butylbicyclo[3.3.1]nonane

9-tert-butylbicyclo[3.3.1]nonane (PubChem CID 59813982) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 9-tert-butylbicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-tert-butylbicyclo[3.3.1]nonane
PubChem CID59813982
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name9-tert-butylbicyclo[3.3.1]nonane
SMILESCC(C)(C)C1C2CCCC1CCC2
InChIInChI=1S/C13H24/c1-13(2,3)12-10-6-4-7-11(12)9-5-8-10/h10-12H,4-9H2,1-3H3
InChIKeyIWNOWPSLSDRMFC-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-tert-butylbicyclo[3.3.1]nonane?
The IUPAC name of 9-tert-butylbicyclo[3.3.1]nonane (CID 59813982) is 9-tert-butylbicyclo[3.3.1]nonane.
What is the SMILES notation for 9-tert-butylbicyclo[3.3.1]nonane?
The canonical SMILES for 9-tert-butylbicyclo[3.3.1]nonane is CC(C)(C)C1C2CCCC1CCC2.
What is the InChIKey of 9-tert-butylbicyclo[3.3.1]nonane?
The InChIKey is IWNOWPSLSDRMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-13(2,3)12-10-6-4-7-11(12)9-5-8-10/h10-12H,4-9H2,1-3H3.
What are the key properties of 9-tert-butylbicyclo[3.3.1]nonane?
9-tert-butylbicyclo[3.3.1]nonane has a molecular weight of 180.33 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butylbicyclo[3.3.1]nonane is sourced from PubChem (CID 59813982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).