2-(5-chloro-2-propan-2-ylphenyl)-8-oxa-2-azaspiro[4.5]decane

C17H24ClNO — CID 130187518

IUPAC2-(5-chloro-2-propan-2-ylphenyl)-8-oxa-2-azaspiro[4.5]decane
SMILESCC(C)c1ccc(Cl)cc1N1CCC2(CCOCC2)C1
InChIInChI=1S/C17H24ClNO/c1-13(2)15-4-3-14(18)11-16(15)19-8-5-17(12-19)6-9-20-10-7-17/h3-4,11,13H,5-10,12H2,1-2H3
InChIKeyBJQZGCNFODIXKE-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.47
Rot. Bonds2

About 2-(5-chloro-2-propan-2-ylphenyl)-8-oxa-2-azaspiro[4.5]decane

2-(5-chloro-2-propan-2-ylphenyl)-8-oxa-2-azaspiro[4.5]decane (PubChem CID 130187518) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 2-(5-chloro-2-propan-2-ylphenyl)-8-oxa-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name2-(5-chloro-2-propan-2-ylphenyl)-8-oxa-2-azaspiro[4.5]decane
PubChem CID130187518
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name2-(5-chloro-2-propan-2-ylphenyl)-8-oxa-2-azaspiro[4.5]decane
SMILESCC(C)c1ccc(Cl)cc1N1CCC2(CCOCC2)C1
InChIInChI=1S/C17H24ClNO/c1-13(2)15-4-3-14(18)11-16(15)19-8-5-17(12-19)6-9-20-10-7-17/h3-4,11,13H,5-10,12H2,1-2H3
InChIKeyBJQZGCNFODIXKE-UHFFFAOYSA-N
XLogP4.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-propan-2-ylphenyl)-8-oxa-2-azaspiro[4.5]decane?
The IUPAC name of 2-(5-chloro-2-propan-2-ylphenyl)-8-oxa-2-azaspiro[4.5]decane (CID 130187518) is 2-(5-chloro-2-propan-2-ylphenyl)-8-oxa-2-azaspiro[4.5]decane.
What is the SMILES notation for 2-(5-chloro-2-propan-2-ylphenyl)-8-oxa-2-azaspiro[4.5]decane?
The canonical SMILES for 2-(5-chloro-2-propan-2-ylphenyl)-8-oxa-2-azaspiro[4.5]decane is CC(C)c1ccc(Cl)cc1N1CCC2(CCOCC2)C1.
What is the InChIKey of 2-(5-chloro-2-propan-2-ylphenyl)-8-oxa-2-azaspiro[4.5]decane?
The InChIKey is BJQZGCNFODIXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-13(2)15-4-3-14(18)11-16(15)19-8-5-17(12-19)6-9-20-10-7-17/h3-4,11,13H,5-10,12H2,1-2H3.
What are the key properties of 2-(5-chloro-2-propan-2-ylphenyl)-8-oxa-2-azaspiro[4.5]decane?
2-(5-chloro-2-propan-2-ylphenyl)-8-oxa-2-azaspiro[4.5]decane has a molecular weight of 293.84 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-propan-2-ylphenyl)-8-oxa-2-azaspiro[4.5]decane is sourced from PubChem (CID 130187518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).