(2R)-6-tert-butylbicyclo[2.2.1]heptan-2-ol

C11H20O — CID 2825181

IUPAC(2R)-6-tert-butylbicyclo[2.2.1]heptan-2-ol
SMILESCC(C)(C)C1CC2CC1[C@H](O)C2
InChIInChI=1S/C11H20O/c1-11(2,3)9-5-7-4-8(9)10(12)6-7/h7-10,12H,4-6H2,1-3H3/t7?,8?,9?,10-/m1/s1
InChIKeyDDLJRDQVSQJFMP-SYZWKDNESA-N
MW168.28 g/mol
LogP2.44
Rot. Bonds

About (2R)-6-tert-butylbicyclo[2.2.1]heptan-2-ol

(2R)-6-tert-butylbicyclo[2.2.1]heptan-2-ol (PubChem CID 2825181) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (2R)-6-tert-butylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(2R)-6-tert-butylbicyclo[2.2.1]heptan-2-ol
PubChem CID2825181
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(2R)-6-tert-butylbicyclo[2.2.1]heptan-2-ol
SMILESCC(C)(C)C1CC2CC1[C@H](O)C2
InChIInChI=1S/C11H20O/c1-11(2,3)9-5-7-4-8(9)10(12)6-7/h7-10,12H,4-6H2,1-3H3/t7?,8?,9?,10-/m1/s1
InChIKeyDDLJRDQVSQJFMP-SYZWKDNESA-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

6-(2-bromo-1,1,2,2-tetrafluoroethyl)bicyclo[2.2.1]heptan-2-ol
CID 139995600
(3R,4S)-tricyclo[4.2.1.03,7]nonan-4-ol
CID 12649513
3-tert-butylcyclobutane-1,2-diol
CID 12791413
4,6-ditert-butylcyclohexane-1,3-diol
CID 169017952
(1S,2R,4S,6S)-6-propan-2-ylbicyclo[2.2.1]heptan-2-ol
CID 130944389
(1S,2S,4S,6R)-6-(hydroxymethyl)bicyclo[2.2.1]heptan-2-ol
CID 130792026
bicyclo[2.2.1]heptane-2,5,7-triol
CID 22290058
(1S,2S,4S,6S)-6-(bromomethyl)bicyclo[2.2.1]heptan-2-ol
CID 130792617
trans-(2R,6R)-2,6-ditert-butyl-4-methylcyclohexan-1-ol
CID 7037526
(1R,2R,4S,6S)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid
CID 12618488
(6-hydroxy-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoropropanoate
CID 59602458
methyl (1R,2R,4S,6R)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate
CID 99564434

Frequently Asked Questions

What is the IUPAC name of (2R)-6-tert-butylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (2R)-6-tert-butylbicyclo[2.2.1]heptan-2-ol (CID 2825181) is (2R)-6-tert-butylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (2R)-6-tert-butylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (2R)-6-tert-butylbicyclo[2.2.1]heptan-2-ol is CC(C)(C)C1CC2CC1[C@H](O)C2.
What is the InChIKey of (2R)-6-tert-butylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is DDLJRDQVSQJFMP-SYZWKDNESA-N. The full InChI is InChI=1S/C11H20O/c1-11(2,3)9-5-7-4-8(9)10(12)6-7/h7-10,12H,4-6H2,1-3H3/t7?,8?,9?,10-/m1/s1.
What are the key properties of (2R)-6-tert-butylbicyclo[2.2.1]heptan-2-ol?
(2R)-6-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)-6-tert-butylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 2825181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).