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

C10H19NO — CID 146860634

IUPAC8-tert-butyl-2-oxa-5-azaspiro[3.4]octane
SMILESCC(C)(C)C1CCNC12COC2
InChIInChI=1S/C10H19NO/c1-9(2,3)8-4-5-11-10(8)6-12-7-10/h8,11H,4-7H2,1-3H3
InChIKeySKOVXUNMFSXRBS-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds

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

8-tert-butyl-2-oxa-5-azaspiro[3.4]octane (PubChem CID 146860634) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 8-tert-butyl-2-oxa-5-azaspiro[3.4]octane.

Molecular Properties

Compound Name8-tert-butyl-2-oxa-5-azaspiro[3.4]octane
PubChem CID146860634
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name8-tert-butyl-2-oxa-5-azaspiro[3.4]octane
SMILESCC(C)(C)C1CCNC12COC2
InChIInChI=1S/C10H19NO/c1-9(2,3)8-4-5-11-10(8)6-12-7-10/h8,11H,4-7H2,1-3H3
InChIKeySKOVXUNMFSXRBS-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-2-oxa-5-azaspiro[3.4]octane?
The IUPAC name of 8-tert-butyl-2-oxa-5-azaspiro[3.4]octane (CID 146860634) is 8-tert-butyl-2-oxa-5-azaspiro[3.4]octane.
What is the SMILES notation for 8-tert-butyl-2-oxa-5-azaspiro[3.4]octane?
The canonical SMILES for 8-tert-butyl-2-oxa-5-azaspiro[3.4]octane is CC(C)(C)C1CCNC12COC2.
What is the InChIKey of 8-tert-butyl-2-oxa-5-azaspiro[3.4]octane?
The InChIKey is SKOVXUNMFSXRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2,3)8-4-5-11-10(8)6-12-7-10/h8,11H,4-7H2,1-3H3.
What are the key properties of 8-tert-butyl-2-oxa-5-azaspiro[3.4]octane?
8-tert-butyl-2-oxa-5-azaspiro[3.4]octane has a molecular weight of 169.27 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-2-oxa-5-azaspiro[3.4]octane is sourced from PubChem (CID 146860634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).