(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).