6-tert-butyl-1-hydroxy-2,2,3,5,8,8-hexamethylazocane

C17H35NO — CID 167056970

IUPAC6-tert-butyl-1-hydroxy-2,2,3,5,8,8-hexamethylazocane
SMILESCC1CC(C)C(C)(C)N(O)C(C)(C)CC1C(C)(C)C
InChIInChI=1S/C17H35NO/c1-12-10-13(2)17(8,9)18(19)16(6,7)11-14(12)15(3,4)5/h12-14,19H,10-11H2,1-9H3
InChIKeyGDEJUSYRXDCEHX-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.96
Rot. Bonds

About 6-tert-butyl-1-hydroxy-2,2,3,5,8,8-hexamethylazocane

6-tert-butyl-1-hydroxy-2,2,3,5,8,8-hexamethylazocane (PubChem CID 167056970) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 6-tert-butyl-1-hydroxy-2,2,3,5,8,8-hexamethylazocane.

Molecular Properties

Compound Name6-tert-butyl-1-hydroxy-2,2,3,5,8,8-hexamethylazocane
PubChem CID167056970
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name6-tert-butyl-1-hydroxy-2,2,3,5,8,8-hexamethylazocane
SMILESCC1CC(C)C(C)(C)N(O)C(C)(C)CC1C(C)(C)C
InChIInChI=1S/C17H35NO/c1-12-10-13(2)17(8,9)18(19)16(6,7)11-14(12)15(3,4)5/h12-14,19H,10-11H2,1-9H3
InChIKeyGDEJUSYRXDCEHX-UHFFFAOYSA-N
XLogP4.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-hydroxy-2,2,3,5,8,8-hexamethylazocane?
The IUPAC name of 6-tert-butyl-1-hydroxy-2,2,3,5,8,8-hexamethylazocane (CID 167056970) is 6-tert-butyl-1-hydroxy-2,2,3,5,8,8-hexamethylazocane.
What is the SMILES notation for 6-tert-butyl-1-hydroxy-2,2,3,5,8,8-hexamethylazocane?
The canonical SMILES for 6-tert-butyl-1-hydroxy-2,2,3,5,8,8-hexamethylazocane is CC1CC(C)C(C)(C)N(O)C(C)(C)CC1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-1-hydroxy-2,2,3,5,8,8-hexamethylazocane?
The InChIKey is GDEJUSYRXDCEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-12-10-13(2)17(8,9)18(19)16(6,7)11-14(12)15(3,4)5/h12-14,19H,10-11H2,1-9H3.
What are the key properties of 6-tert-butyl-1-hydroxy-2,2,3,5,8,8-hexamethylazocane?
6-tert-butyl-1-hydroxy-2,2,3,5,8,8-hexamethylazocane has a molecular weight of 269.47 g/mol, XLogP of 4.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-hydroxy-2,2,3,5,8,8-hexamethylazocane is sourced from PubChem (CID 167056970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).