1-(5-hydroxy-6-bicyclo[3.2.1]octanyl)-2,2-dimethylpropan-1-one

C13H22O2 — CID 85405016

IUPAC1-(5-hydroxy-6-bicyclo[3.2.1]octanyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CC2CCCC1(O)C2
InChIInChI=1S/C13H22O2/c1-12(2,3)11(14)10-7-9-5-4-6-13(10,15)8-9/h9-10,15H,4-8H2,1-3H3
InChIKeyHFZNOPYXOKSOKF-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.54
Rot. Bonds1

About 1-(5-hydroxy-6-bicyclo[3.2.1]octanyl)-2,2-dimethylpropan-1-one

1-(5-hydroxy-6-bicyclo[3.2.1]octanyl)-2,2-dimethylpropan-1-one (PubChem CID 85405016) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(5-hydroxy-6-bicyclo[3.2.1]octanyl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(5-hydroxy-6-bicyclo[3.2.1]octanyl)-2,2-dimethylpropan-1-one
PubChem CID85405016
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name1-(5-hydroxy-6-bicyclo[3.2.1]octanyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CC2CCCC1(O)C2
InChIInChI=1S/C13H22O2/c1-12(2,3)11(14)10-7-9-5-4-6-13(10,15)8-9/h9-10,15H,4-8H2,1-3H3
InChIKeyHFZNOPYXOKSOKF-UHFFFAOYSA-N
XLogP2.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-6-bicyclo[3.2.1]octanyl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(5-hydroxy-6-bicyclo[3.2.1]octanyl)-2,2-dimethylpropan-1-one (CID 85405016) is 1-(5-hydroxy-6-bicyclo[3.2.1]octanyl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(5-hydroxy-6-bicyclo[3.2.1]octanyl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(5-hydroxy-6-bicyclo[3.2.1]octanyl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)C1CC2CCCC1(O)C2.
What is the InChIKey of 1-(5-hydroxy-6-bicyclo[3.2.1]octanyl)-2,2-dimethylpropan-1-one?
The InChIKey is HFZNOPYXOKSOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-12(2,3)11(14)10-7-9-5-4-6-13(10,15)8-9/h9-10,15H,4-8H2,1-3H3.
What are the key properties of 1-(5-hydroxy-6-bicyclo[3.2.1]octanyl)-2,2-dimethylpropan-1-one?
1-(5-hydroxy-6-bicyclo[3.2.1]octanyl)-2,2-dimethylpropan-1-one has a molecular weight of 210.32 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-6-bicyclo[3.2.1]octanyl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 85405016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).