8-tert-butyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane

C17H25NO — CID 130439562

IUPAC8-tert-butyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane
SMILESCN1CC(c2ccccc2)C(C(C)(C)C)C12COC2
InChIInChI=1S/C17H25NO/c1-16(2,3)15-14(13-8-6-5-7-9-13)10-18(4)17(15)11-19-12-17/h5-9,14-15H,10-12H2,1-4H3
InChIKeyJAGDMIKDNVCXDG-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.15
Rot. Bonds1

About 8-tert-butyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane

8-tert-butyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane (PubChem CID 130439562) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 8-tert-butyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane.

Molecular Properties

Compound Name8-tert-butyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane
PubChem CID130439562
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name8-tert-butyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane
SMILESCN1CC(c2ccccc2)C(C(C)(C)C)C12COC2
InChIInChI=1S/C17H25NO/c1-16(2,3)15-14(13-8-6-5-7-9-13)10-18(4)17(15)11-19-12-17/h5-9,14-15H,10-12H2,1-4H3
InChIKeyJAGDMIKDNVCXDG-UHFFFAOYSA-N
XLogP3.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane?
The IUPAC name of 8-tert-butyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane (CID 130439562) is 8-tert-butyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane.
What is the SMILES notation for 8-tert-butyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane?
The canonical SMILES for 8-tert-butyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane is CN1CC(c2ccccc2)C(C(C)(C)C)C12COC2.
What is the InChIKey of 8-tert-butyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane?
The InChIKey is JAGDMIKDNVCXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-16(2,3)15-14(13-8-6-5-7-9-13)10-18(4)17(15)11-19-12-17/h5-9,14-15H,10-12H2,1-4H3.
What are the key properties of 8-tert-butyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane?
8-tert-butyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane has a molecular weight of 259.39 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-5-methyl-7-phenyl-2-oxa-5-azaspiro[3.4]octane is sourced from PubChem (CID 130439562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).