7-(4-tert-butylphenyl)-6-oxa-9-azaspiro[4.5]decane

C18H27NO — CID 65104059

IUPAC7-(4-tert-butylphenyl)-6-oxa-9-azaspiro[4.5]decane
SMILESCC(C)(C)c1ccc(C2CNCC3(CCCC3)O2)cc1
InChIInChI=1S/C18H27NO/c1-17(2,3)15-8-6-14(7-9-15)16-12-19-13-18(20-16)10-4-5-11-18/h6-9,16,19H,4-5,10-13H2,1-3H3
InChIKeyNEZHGTBMBOYMKX-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.96
Rot. Bonds1

About 7-(4-tert-butylphenyl)-6-oxa-9-azaspiro[4.5]decane

7-(4-tert-butylphenyl)-6-oxa-9-azaspiro[4.5]decane (PubChem CID 65104059) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 7-(4-tert-butylphenyl)-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name7-(4-tert-butylphenyl)-6-oxa-9-azaspiro[4.5]decane
PubChem CID65104059
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name7-(4-tert-butylphenyl)-6-oxa-9-azaspiro[4.5]decane
SMILESCC(C)(C)c1ccc(C2CNCC3(CCCC3)O2)cc1
InChIInChI=1S/C18H27NO/c1-17(2,3)15-8-6-14(7-9-15)16-12-19-13-18(20-16)10-4-5-11-18/h6-9,16,19H,4-5,10-13H2,1-3H3
InChIKeyNEZHGTBMBOYMKX-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylphenyl)-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 7-(4-tert-butylphenyl)-6-oxa-9-azaspiro[4.5]decane (CID 65104059) is 7-(4-tert-butylphenyl)-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 7-(4-tert-butylphenyl)-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 7-(4-tert-butylphenyl)-6-oxa-9-azaspiro[4.5]decane is CC(C)(C)c1ccc(C2CNCC3(CCCC3)O2)cc1.
What is the InChIKey of 7-(4-tert-butylphenyl)-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is NEZHGTBMBOYMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-17(2,3)15-8-6-14(7-9-15)16-12-19-13-18(20-16)10-4-5-11-18/h6-9,16,19H,4-5,10-13H2,1-3H3.
What are the key properties of 7-(4-tert-butylphenyl)-6-oxa-9-azaspiro[4.5]decane?
7-(4-tert-butylphenyl)-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 273.42 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-tert-butylphenyl)-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 65104059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).