3-tert-butylbicyclo[3.2.1]octane

C12H22 — CID 21352039

IUPAC3-tert-butylbicyclo[3.2.1]octane
SMILESCC(C)(C)C1CC2CCC(C2)C1
InChIInChI=1S/C12H22/c1-12(2,3)11-7-9-4-5-10(6-9)8-11/h9-11H,4-8H2,1-3H3
InChIKeyRYDICBGEIRLEBQ-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.86
Rot. Bonds

About 3-tert-butylbicyclo[3.2.1]octane

3-tert-butylbicyclo[3.2.1]octane (PubChem CID 21352039) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 3-tert-butylbicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-tert-butylbicyclo[3.2.1]octane
PubChem CID21352039
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name3-tert-butylbicyclo[3.2.1]octane
SMILESCC(C)(C)C1CC2CCC(C2)C1
InChIInChI=1S/C12H22/c1-12(2,3)11-7-9-4-5-10(6-9)8-11/h9-11H,4-8H2,1-3H3
InChIKeyRYDICBGEIRLEBQ-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butylbicyclo[3.2.1]octane?
The IUPAC name of 3-tert-butylbicyclo[3.2.1]octane (CID 21352039) is 3-tert-butylbicyclo[3.2.1]octane.
What is the SMILES notation for 3-tert-butylbicyclo[3.2.1]octane?
The canonical SMILES for 3-tert-butylbicyclo[3.2.1]octane is CC(C)(C)C1CC2CCC(C2)C1.
What is the InChIKey of 3-tert-butylbicyclo[3.2.1]octane?
The InChIKey is RYDICBGEIRLEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-12(2,3)11-7-9-4-5-10(6-9)8-11/h9-11H,4-8H2,1-3H3.
What are the key properties of 3-tert-butylbicyclo[3.2.1]octane?
3-tert-butylbicyclo[3.2.1]octane has a molecular weight of 166.31 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylbicyclo[3.2.1]octane is sourced from PubChem (CID 21352039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).