3-[5-[(3,7,7,8,9,9-hexamethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methoxy]pentoxymethyl]-3,7,7,8,9,9-hexamethyl-1,4-dioxa-8-azaspiro[4.5]decane

C33H62N2O6 — CID 135254050

About 3-[5-[(3,7,7,8,9,9-hexamethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methoxy]pentoxymethyl]-3,7,7,8,9,9-hexamethyl-1,4-dioxa-8-azaspiro[4.5]decane

3-[5-[(3,7,7,8,9,9-hexamethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methoxy]pentoxymethyl]-3,7,7,8,9,9-hexamethyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 135254050) has the molecular formula C33H62N2O6 and a molecular weight of 582.87 g/mol. Its IUPAC name is 3-[5-[(3,7,7,8,9,9-hexamethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methoxy]pentoxymethyl]-3,7,7,8,9,9-hexamethyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

• Compound Name: 3-[5-[(3,7,7,8,9,9-hexamethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methoxy]pentoxymethyl]-3,7,7,8,9,9-hexamethyl-1,4-dioxa-8-azaspiro[4.5]decane
• PubChem CID: 135254050
• Molecular Formula: C33H62N2O6
• Molecular Weight: 582.87 g/mol
• Exact Mass: 582.46
• IUPAC Name: 3-[5-[(3,7,7,8,9,9-hexamethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methoxy]pentoxymethyl]-3,7,7,8,9,9-hexamethyl-1,4-dioxa-8-azaspiro[4.5]decane
• SMILES: CN1C(C)(C)CC2(CC1(C)C)OCC(C)(COCCCCCOCC1(C)COC3(CC(C)(C)N(C)C(C)(C)C3)O1)O2
• InChI: InChI=1S/C33H62N2O6/c1-26(2)18-32(19-27(3,4)34(26)11)38-24-30(9,40-32)22-36-16-14-13-15-17-37-23-31(10)25-39-33(41-31)20-28(5,6)35(12)29(7,8)21-33/h13-25H2,1-12H3
• InChIKey: JLFGPOYHWWKFJV-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 61.86 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.87
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(3,7,7,8,9,9-hexamethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methoxy]pentoxymethyl]-3,7,7,8,9,9-hexamethyl-1,4-dioxa-8-azaspiro[4.5]decane?

The IUPAC name of 3-[5-[(3,7,7,8,9,9-hexamethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methoxy]pentoxymethyl]-3,7,7,8,9,9-hexamethyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 135254050) is 3-[5-[(3,7,7,8,9,9-hexamethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methoxy]pentoxymethyl]-3,7,7,8,9,9-hexamethyl-1,4-dioxa-8-azaspiro[4.5]decane.

What is the SMILES notation for 3-[5-[(3,7,7,8,9,9-hexamethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methoxy]pentoxymethyl]-3,7,7,8,9,9-hexamethyl-1,4-dioxa-8-azaspiro[4.5]decane?

The canonical SMILES for 3-[5-[(3,7,7,8,9,9-hexamethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methoxy]pentoxymethyl]-3,7,7,8,9,9-hexamethyl-1,4-dioxa-8-azaspiro[4.5]decane is CN1C(C)(C)CC2(CC1(C)C)OCC(C)(COCCCCCOCC1(C)COC3(CC(C)(C)N(C)C(C)(C)C3)O1)O2.

What is the InChIKey of 3-[5-[(3,7,7,8,9,9-hexamethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methoxy]pentoxymethyl]-3,7,7,8,9,9-hexamethyl-1,4-dioxa-8-azaspiro[4.5]decane?

The InChIKey is JLFGPOYHWWKFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H62N2O6/c1-26(2)18-32(19-27(3,4)34(26)11)38-24-30(9,40-32)22-36-16-14-13-15-17-37-23-31(10)25-39-33(41-31)20-28(5,6)35(12)29(7,8)21-33/h13-25H2,1-12H3.

What are the key properties of 3-[5-[(3,7,7,8,9,9-hexamethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methoxy]pentoxymethyl]-3,7,7,8,9,9-hexamethyl-1,4-dioxa-8-azaspiro[4.5]decane?

3-[5-[(3,7,7,8,9,9-hexamethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methoxy]pentoxymethyl]-3,7,7,8,9,9-hexamethyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 582.87 g/mol, XLogP of 5.76, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[(3,7,7,8,9,9-hexamethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methoxy]pentoxymethyl]-3,7,7,8,9,9-hexamethyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 135254050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).