(2R)-2-tert-butylbicyclo[2.2.2]octane

C12H22 — CID 153289737

IUPAC(2R)-2-tert-butylbicyclo[2.2.2]octane
SMILESCC(C)(C)[C@@H]1CC2CCC1CC2
InChIInChI=1S/C12H22/c1-12(2,3)11-8-9-4-6-10(11)7-5-9/h9-11H,4-8H2,1-3H3/t9?,10?,11-/m1/s1
InChIKeyHLYPJPDSPOPRKF-VQXHTEKXSA-N
MW166.31 g/mol
LogP3.86
Rot. Bonds

About (2R)-2-tert-butylbicyclo[2.2.2]octane

(2R)-2-tert-butylbicyclo[2.2.2]octane (PubChem CID 153289737) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (2R)-2-tert-butylbicyclo[2.2.2]octane.

Molecular Properties

Compound Name(2R)-2-tert-butylbicyclo[2.2.2]octane
PubChem CID153289737
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(2R)-2-tert-butylbicyclo[2.2.2]octane
SMILESCC(C)(C)[C@@H]1CC2CCC1CC2
InChIInChI=1S/C12H22/c1-12(2,3)11-8-9-4-6-10(11)7-5-9/h9-11H,4-8H2,1-3H3/t9?,10?,11-/m1/s1
InChIKeyHLYPJPDSPOPRKF-VQXHTEKXSA-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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Related Compounds

2-tert-butylbicyclo[3.2.1]octane
CID 21352041
CID 174147780
CID 174147780
2-(1,1-difluoroethyl)bicyclo[2.2.1]heptane
CID 68641749
(1R)-1-[(2R)-2-bicyclo[2.2.2]octanyl]-1-(4-chlorophenyl)ethanol
CID 129353905
2-(1,1,1-trifluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane
CID 118360310
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylpropan-2-amine
CID 154963024
2,7-ditert-butyl-4-(3,5-ditert-butyl-4-hydroxycyclohexyl)cycloheptan-1-ol
CID 123258751
2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol
CID 58958840
tricyclo[5.3.2.04,9]dodecane
CID 54490019
5-tert-butylbicyclo[2.1.1]hexane
CID 140587712
(2,4-ditert-butylcyclohexyl)methanamine
CID 81012705
4-tert-butyl-3-cyclopropylcyclohexan-1-amine
CID 165498686

Frequently Asked Questions

What is the IUPAC name of (2R)-2-tert-butylbicyclo[2.2.2]octane?
The IUPAC name of (2R)-2-tert-butylbicyclo[2.2.2]octane (CID 153289737) is (2R)-2-tert-butylbicyclo[2.2.2]octane.
What is the SMILES notation for (2R)-2-tert-butylbicyclo[2.2.2]octane?
The canonical SMILES for (2R)-2-tert-butylbicyclo[2.2.2]octane is CC(C)(C)[C@@H]1CC2CCC1CC2.
What is the InChIKey of (2R)-2-tert-butylbicyclo[2.2.2]octane?
The InChIKey is HLYPJPDSPOPRKF-VQXHTEKXSA-N. The full InChI is InChI=1S/C12H22/c1-12(2,3)11-8-9-4-6-10(11)7-5-9/h9-11H,4-8H2,1-3H3/t9?,10?,11-/m1/s1.
What are the key properties of (2R)-2-tert-butylbicyclo[2.2.2]octane?
(2R)-2-tert-butylbicyclo[2.2.2]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 (2R)-2-tert-butylbicyclo[2.2.2]octane is sourced from PubChem (CID 153289737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).