1,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-ol

C11H20O — CID 12648890

IUPAC1,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-ol
SMILESCC12CCC(C1)C(C)(C)C2(C)O
InChIInChI=1S/C11H20O/c1-9(2)8-5-6-10(3,7-8)11(9,4)12/h8,12H,5-7H2,1-4H3
InChIKeyAJVKAPQCJKEUSG-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.58
Rot. Bonds

About 1,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-ol

1,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 12648890) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name1,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-ol
PubChem CID12648890
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-ol
SMILESCC12CCC(C1)C(C)(C)C2(C)O
InChIInChI=1S/C11H20O/c1-9(2)8-5-6-10(3,7-8)11(9,4)12/h8,12H,5-7H2,1-4H3
InChIKeyAJVKAPQCJKEUSG-UHFFFAOYSA-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 1,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 1,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-ol (CID 12648890) is 1,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 1,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 1,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-ol is CC12CCC(C1)C(C)(C)C2(C)O.
What is the InChIKey of 1,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is AJVKAPQCJKEUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-9(2)8-5-6-10(3,7-8)11(9,4)12/h8,12H,5-7H2,1-4H3.
What are the key properties of 1,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-ol?
1,2,3,3-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 1,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 12648890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).