7-tert-butyl-2-oxa-7-azaspiro[3.4]octane

C10H19NO — CID 58441257

IUPAC7-tert-butyl-2-oxa-7-azaspiro[3.4]octane
SMILESCC(C)(C)N1CCC2(COC2)C1
InChIInChI=1S/C10H19NO/c1-9(2,3)11-5-4-10(6-11)7-12-8-10/h4-8H2,1-3H3
InChIKeyPLCRDIVXSWSUHW-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.51
Rot. Bonds

About 7-tert-butyl-2-oxa-7-azaspiro[3.4]octane

7-tert-butyl-2-oxa-7-azaspiro[3.4]octane (PubChem CID 58441257) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 7-tert-butyl-2-oxa-7-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-tert-butyl-2-oxa-7-azaspiro[3.4]octane
PubChem CID58441257
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name7-tert-butyl-2-oxa-7-azaspiro[3.4]octane
SMILESCC(C)(C)N1CCC2(COC2)C1
InChIInChI=1S/C10H19NO/c1-9(2,3)11-5-4-10(6-11)7-12-8-10/h4-8H2,1-3H3
InChIKeyPLCRDIVXSWSUHW-UHFFFAOYSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-oxa-7-azaspiro[3.4]octane?
The IUPAC name of 7-tert-butyl-2-oxa-7-azaspiro[3.4]octane (CID 58441257) is 7-tert-butyl-2-oxa-7-azaspiro[3.4]octane.
What is the SMILES notation for 7-tert-butyl-2-oxa-7-azaspiro[3.4]octane?
The canonical SMILES for 7-tert-butyl-2-oxa-7-azaspiro[3.4]octane is CC(C)(C)N1CCC2(COC2)C1.
What is the InChIKey of 7-tert-butyl-2-oxa-7-azaspiro[3.4]octane?
The InChIKey is PLCRDIVXSWSUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2,3)11-5-4-10(6-11)7-12-8-10/h4-8H2,1-3H3.
What are the key properties of 7-tert-butyl-2-oxa-7-azaspiro[3.4]octane?
7-tert-butyl-2-oxa-7-azaspiro[3.4]octane has a molecular weight of 169.27 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2-oxa-7-azaspiro[3.4]octane is sourced from PubChem (CID 58441257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).