(1R,2R,4R)-1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol

C11H20O — CID 11062802

IUPAC(1R,2R,4R)-1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@](C)(O)C2
InChIInChI=1S/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3/t8-,10-,11-/m1/s1
InChIKeyLFYXNXGVLGKVCJ-FBIMIBRVSA-N
MW168.28 g/mol
LogP2.58
Rot. Bonds

About (1R,2R,4R)-1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol

(1R,2R,4R)-1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 11062802) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (1R,2R,4R)-1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1R,2R,4R)-1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol
PubChem CID11062802
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(1R,2R,4R)-1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@](C)(O)C2
InChIInChI=1S/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3/t8-,10-,11-/m1/s1
InChIKeyLFYXNXGVLGKVCJ-FBIMIBRVSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1R,2R,4R)-1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol (CID 11062802) is (1R,2R,4R)-1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1R,2R,4R)-1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1R,2R,4R)-1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol is CC1(C)[C@@H]2CC[C@@]1(C)[C@](C)(O)C2.
What is the InChIKey of (1R,2R,4R)-1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is LFYXNXGVLGKVCJ-FBIMIBRVSA-N. The full InChI is InChI=1S/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3/t8-,10-,11-/m1/s1.
What are the key properties of (1R,2R,4R)-1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol?
(1R,2R,4R)-1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 168.28 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 11062802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).