3-(4-tert-butylphenyl)-7,7,9,9-tetramethyl-1-oxa-2-azaspiro[4.5]dec-2-ene

C22H33NO — CID 11976296

IUPAC3-(4-tert-butylphenyl)-7,7,9,9-tetramethyl-1-oxa-2-azaspiro[4.5]dec-2-ene
SMILESCC1(C)CC(C)(C)CC2(CC(c3ccc(C(C)(C)C)cc3)=NO2)C1
InChIInChI=1S/C22H33NO/c1-19(2,3)17-10-8-16(9-11-17)18-12-22(24-23-18)14-20(4,5)13-21(6,7)15-22/h8-11H,12-15H2,1-7H3
InChIKeyHYWRUHDRWASPKD-UHFFFAOYSA-N
MW327.51 g/mol
LogP6.08
Rot. Bonds1

About 3-(4-tert-butylphenyl)-7,7,9,9-tetramethyl-1-oxa-2-azaspiro[4.5]dec-2-ene

3-(4-tert-butylphenyl)-7,7,9,9-tetramethyl-1-oxa-2-azaspiro[4.5]dec-2-ene (PubChem CID 11976296) has the molecular formula C22H33NO and a molecular weight of 327.51 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-7,7,9,9-tetramethyl-1-oxa-2-azaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-7,7,9,9-tetramethyl-1-oxa-2-azaspiro[4.5]dec-2-ene
PubChem CID11976296
Molecular FormulaC22H33NO
Molecular Weight327.51 g/mol
Exact Mass327.26
IUPAC Name3-(4-tert-butylphenyl)-7,7,9,9-tetramethyl-1-oxa-2-azaspiro[4.5]dec-2-ene
SMILESCC1(C)CC(C)(C)CC2(CC(c3ccc(C(C)(C)C)cc3)=NO2)C1
InChIInChI=1S/C22H33NO/c1-19(2,3)17-10-8-16(9-11-17)18-12-22(24-23-18)14-20(4,5)13-21(6,7)15-22/h8-11H,12-15H2,1-7H3
InChIKeyHYWRUHDRWASPKD-UHFFFAOYSA-N
XLogP6.08
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.51
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-7,7,9,9-tetramethyl-1-oxa-2-azaspiro[4.5]dec-2-ene?
The IUPAC name of 3-(4-tert-butylphenyl)-7,7,9,9-tetramethyl-1-oxa-2-azaspiro[4.5]dec-2-ene (CID 11976296) is 3-(4-tert-butylphenyl)-7,7,9,9-tetramethyl-1-oxa-2-azaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3-(4-tert-butylphenyl)-7,7,9,9-tetramethyl-1-oxa-2-azaspiro[4.5]dec-2-ene?
The canonical SMILES for 3-(4-tert-butylphenyl)-7,7,9,9-tetramethyl-1-oxa-2-azaspiro[4.5]dec-2-ene is CC1(C)CC(C)(C)CC2(CC(c3ccc(C(C)(C)C)cc3)=NO2)C1.
What is the InChIKey of 3-(4-tert-butylphenyl)-7,7,9,9-tetramethyl-1-oxa-2-azaspiro[4.5]dec-2-ene?
The InChIKey is HYWRUHDRWASPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO/c1-19(2,3)17-10-8-16(9-11-17)18-12-22(24-23-18)14-20(4,5)13-21(6,7)15-22/h8-11H,12-15H2,1-7H3.
What are the key properties of 3-(4-tert-butylphenyl)-7,7,9,9-tetramethyl-1-oxa-2-azaspiro[4.5]dec-2-ene?
3-(4-tert-butylphenyl)-7,7,9,9-tetramethyl-1-oxa-2-azaspiro[4.5]dec-2-ene has a molecular weight of 327.51 g/mol, XLogP of 6.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-7,7,9,9-tetramethyl-1-oxa-2-azaspiro[4.5]dec-2-ene is sourced from PubChem (CID 11976296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).