(2R,3R)-3-tert-butylbicyclo[2.2.1]heptan-2-ol

C11H20O — CID 171582038

IUPAC(2R,3R)-3-tert-butylbicyclo[2.2.1]heptan-2-ol
SMILESCC(C)(C)[C@H]1C2CCC(C2)[C@H]1O
InChIInChI=1S/C11H20O/c1-11(2,3)9-7-4-5-8(6-7)10(9)12/h7-10,12H,4-6H2,1-3H3/t7?,8?,9-,10+/m0/s1
InChIKeyZUAIKPONDYBOTA-HORUIINNSA-N
MW168.28 g/mol
LogP2.44
Rot. Bonds

About (2R,3R)-3-tert-butylbicyclo[2.2.1]heptan-2-ol

(2R,3R)-3-tert-butylbicyclo[2.2.1]heptan-2-ol (PubChem CID 171582038) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (2R,3R)-3-tert-butylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-tert-butylbicyclo[2.2.1]heptan-2-ol
PubChem CID171582038
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(2R,3R)-3-tert-butylbicyclo[2.2.1]heptan-2-ol
SMILESCC(C)(C)[C@H]1C2CCC(C2)[C@H]1O
InChIInChI=1S/C11H20O/c1-11(2,3)9-7-4-5-8(6-7)10(9)12/h7-10,12H,4-6H2,1-3H3/t7?,8?,9-,10+/m0/s1
InChIKeyZUAIKPONDYBOTA-HORUIINNSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-tert-butylbicyclo[2.1.1]hexane
CID 140587712
(1S,5R)-6-tert-butylbicyclo[3.1.1]heptane
CID 159774556
1-(3-tert-butyl-2-bicyclo[2.2.1]heptanyl)ethanone
CID 158176722
tricyclo[4.3.1.13,8]undecane-2,7-diol
CID 12673622
(1S,2S,3S,4S)-3-methylbicyclo[2.2.1]heptan-2-ol
CID 131155983
2,7-ditert-butyl-4-(3,5-ditert-butyl-4-hydroxycyclohexyl)cycloheptan-1-ol
CID 123258751
3-cyclopropylbicyclo[2.2.1]heptan-2-ol
CID 123278941
2,6-ditert-butyl-4-(4-methylcyclohexyl)cyclohexan-1-ol;methane
CID 142421434
(2R)-2-tert-butylbicyclo[2.2.2]octane
CID 153289737
3-tert-butylcyclobutane-1,2-diol
CID 12791413
4,6-ditert-butylcyclohexane-1,3-diol
CID 169017952
9-tert-butylbicyclo[3.3.1]nonane
CID 59813982

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-tert-butylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (2R,3R)-3-tert-butylbicyclo[2.2.1]heptan-2-ol (CID 171582038) is (2R,3R)-3-tert-butylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (2R,3R)-3-tert-butylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (2R,3R)-3-tert-butylbicyclo[2.2.1]heptan-2-ol is CC(C)(C)[C@H]1C2CCC(C2)[C@H]1O.
What is the InChIKey of (2R,3R)-3-tert-butylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is ZUAIKPONDYBOTA-HORUIINNSA-N. The full InChI is InChI=1S/C11H20O/c1-11(2,3)9-7-4-5-8(6-7)10(9)12/h7-10,12H,4-6H2,1-3H3/t7?,8?,9-,10+/m0/s1.
What are the key properties of (2R,3R)-3-tert-butylbicyclo[2.2.1]heptan-2-ol?
(2R,3R)-3-tert-butylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 168.28 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-tert-butylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 171582038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).