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

C35H68N2O2 — CID 150821247

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

2,7,7,8,9,9-hexamethyl-2-(2-methylpropyl)-4-octadecyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 150821247) has the molecular formula C35H68N2O2 and a molecular weight of 548.94 g/mol. Its IUPAC name is 2,7,7,8,9,9-hexamethyl-2-(2-methylpropyl)-4-octadecyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

• Compound Name: 2,7,7,8,9,9-hexamethyl-2-(2-methylpropyl)-4-octadecyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one
• PubChem CID: 150821247
• Molecular Formula: C35H68N2O2
• Molecular Weight: 548.94 g/mol
• Exact Mass: 548.53
• IUPAC Name: 2,7,7,8,9,9-hexamethyl-2-(2-methylpropyl)-4-octadecyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one
• SMILES: CCCCCCCCCCCCCCCCCCN1C(=O)C(C)(CC(C)C)OC12CC(C)(C)N(C)C(C)(C)C2
• InChI: InChI=1S/C35H68N2O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-37-31(38)34(8,27-30(2)3)39-35(37)28-32(4,5)36(9)33(6,7)29-35/h30H,10-29H2,1-9H3
• InChIKey: KJZCDZWFOZKCIS-UHFFFAOYSA-N
• XLogP: 9.89
• TPSA: 32.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 19
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.94
LogP ≤ 5	9.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,7,7,8,9,9-hexamethyl-2-(2-methylpropyl)-4-octadecyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one?

The IUPAC name of 2,7,7,8,9,9-hexamethyl-2-(2-methylpropyl)-4-octadecyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one (CID 150821247) is 2,7,7,8,9,9-hexamethyl-2-(2-methylpropyl)-4-octadecyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one.

What is the SMILES notation for 2,7,7,8,9,9-hexamethyl-2-(2-methylpropyl)-4-octadecyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one?

The canonical SMILES for 2,7,7,8,9,9-hexamethyl-2-(2-methylpropyl)-4-octadecyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one is CCCCCCCCCCCCCCCCCCN1C(=O)C(C)(CC(C)C)OC12CC(C)(C)N(C)C(C)(C)C2.

What is the InChIKey of 2,7,7,8,9,9-hexamethyl-2-(2-methylpropyl)-4-octadecyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one?

The InChIKey is KJZCDZWFOZKCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H68N2O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-37-31(38)34(8,27-30(2)3)39-35(37)28-32(4,5)36(9)33(6,7)29-35/h30H,10-29H2,1-9H3.

What are the key properties of 2,7,7,8,9,9-hexamethyl-2-(2-methylpropyl)-4-octadecyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one?

2,7,7,8,9,9-hexamethyl-2-(2-methylpropyl)-4-octadecyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 548.94 g/mol, XLogP of 9.89, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7,7,8,9,9-hexamethyl-2-(2-methylpropyl)-4-octadecyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 150821247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).