7,7,9,9-tetramethyl-8-[3-[3-(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propoxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane

C28H52N2O5 — CID 70551594

IUPAC7,7,9,9-tetramethyl-8-[3-[3-(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propoxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCC1(C)CC2(CC(C)(C)N1CCCOCCCN1C(C)(C)CC3(CC1(C)C)OCCO3)OCCO2
InChIInChI=1S/C28H52N2O5/c1-23(2)19-27(32-15-16-33-27)20-24(3,4)29(23)11-9-13-31-14-10-12-30-25(5,6)21-28(22-26(30,7)8)34-17-18-35-28/h9-22H2,1-8H3
InChIKeyUEQSSBKJLUXTLF-UHFFFAOYSA-N
MW496.73 g/mol
LogP4.58
Rot. Bonds8

About 7,7,9,9-tetramethyl-8-[3-[3-(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propoxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane

7,7,9,9-tetramethyl-8-[3-[3-(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propoxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 70551594) has the molecular formula C28H52N2O5 and a molecular weight of 496.73 g/mol. Its IUPAC name is 7,7,9,9-tetramethyl-8-[3-[3-(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propoxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name7,7,9,9-tetramethyl-8-[3-[3-(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propoxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID70551594
Molecular FormulaC28H52N2O5
Molecular Weight496.73 g/mol
Exact Mass496.39
IUPAC Name7,7,9,9-tetramethyl-8-[3-[3-(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propoxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCC1(C)CC2(CC(C)(C)N1CCCOCCCN1C(C)(C)CC3(CC1(C)C)OCCO3)OCCO2
InChIInChI=1S/C28H52N2O5/c1-23(2)19-27(32-15-16-33-27)20-24(3,4)29(23)11-9-13-31-14-10-12-30-25(5,6)21-28(22-26(30,7)8)34-17-18-35-28/h9-22H2,1-8H3
InChIKeyUEQSSBKJLUXTLF-UHFFFAOYSA-N
XLogP4.58
TPSA52.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.73
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 7,7,9,9-tetramethyl-8-[3-[3-(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propoxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,7,9,9-tetramethyl-8-[3-[3-(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propoxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 7,7,9,9-tetramethyl-8-[3-[3-(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propoxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 70551594) is 7,7,9,9-tetramethyl-8-[3-[3-(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propoxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 7,7,9,9-tetramethyl-8-[3-[3-(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propoxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 7,7,9,9-tetramethyl-8-[3-[3-(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propoxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane is CC1(C)CC2(CC(C)(C)N1CCCOCCCN1C(C)(C)CC3(CC1(C)C)OCCO3)OCCO2.
What is the InChIKey of 7,7,9,9-tetramethyl-8-[3-[3-(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propoxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is UEQSSBKJLUXTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52N2O5/c1-23(2)19-27(32-15-16-33-27)20-24(3,4)29(23)11-9-13-31-14-10-12-30-25(5,6)21-28(22-26(30,7)8)34-17-18-35-28/h9-22H2,1-8H3.
What are the key properties of 7,7,9,9-tetramethyl-8-[3-[3-(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propoxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane?
7,7,9,9-tetramethyl-8-[3-[3-(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propoxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 496.73 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,9,9-tetramethyl-8-[3-[3-(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propoxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 70551594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).