2,2,7,7,9,9-hexamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one

C13H24N2O2 — CID 6454847

IUPAC2,2,7,7,9,9-hexamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one
SMILESCC1(C)CC2(CC(C)(C)N1)OC(C)(C)NC2=O
InChIInChI=1S/C13H24N2O2/c1-10(2)7-13(8-11(3,4)15-10)9(16)14-12(5,6)17-13/h15H,7-8H2,1-6H3,(H,14,16)
InChIKeyPJMWCYRMBJWCCG-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.55
Rot. Bonds

About 2,2,7,7,9,9-hexamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one

2,2,7,7,9,9-hexamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one (PubChem CID 6454847) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2,2,7,7,9,9-hexamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name2,2,7,7,9,9-hexamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one
PubChem CID6454847
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2,2,7,7,9,9-hexamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one
SMILESCC1(C)CC2(CC(C)(C)N1)OC(C)(C)NC2=O
InChIInChI=1S/C13H24N2O2/c1-10(2)7-13(8-11(3,4)15-10)9(16)14-12(5,6)17-13/h15H,7-8H2,1-6H3,(H,14,16)
InChIKeyPJMWCYRMBJWCCG-UHFFFAOYSA-N
XLogP1.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,7,7,9,9-hexamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
The IUPAC name of 2,2,7,7,9,9-hexamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one (CID 6454847) is 2,2,7,7,9,9-hexamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one.
What is the SMILES notation for 2,2,7,7,9,9-hexamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
The canonical SMILES for 2,2,7,7,9,9-hexamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one is CC1(C)CC2(CC(C)(C)N1)OC(C)(C)NC2=O.
What is the InChIKey of 2,2,7,7,9,9-hexamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
The InChIKey is PJMWCYRMBJWCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(2)7-13(8-11(3,4)15-10)9(16)14-12(5,6)17-13/h15H,7-8H2,1-6H3,(H,14,16).
What are the key properties of 2,2,7,7,9,9-hexamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one?
2,2,7,7,9,9-hexamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one has a molecular weight of 240.35 g/mol, XLogP of 1.55, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,7,7,9,9-hexamethyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one is sourced from PubChem (CID 6454847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).