2-[2-[2-[2-[8-methyl-1-[2-(6-methylheptylamino)ethoxy]nonan-2-yl]oxyethoxy]ethoxy]ethoxy]ethanol

C28H59NO6 — CID 57325113

IUPAC2-[2-[2-[2-[8-methyl-1-[2-(6-methylheptylamino)ethoxy]nonan-2-yl]oxyethoxy]ethoxy]ethoxy]ethanol
SMILESCC(C)CCCCCNCCOCC(CCCCCC(C)C)OCCOCCOCCOCCO
InChIInChI=1S/C28H59NO6/c1-26(2)11-7-5-9-13-28(25-34-17-15-29-14-10-6-8-12-27(3)4)35-24-23-33-22-21-32-20-19-31-18-16-30/h26-30H,5-25H2,1-4H3
InChIKeyWTRKNMDDUJWRKZ-UHFFFAOYSA-N
MW505.78 g/mol
LogP4.84
Rot. Bonds29

About 2-[2-[2-[2-[8-methyl-1-[2-(6-methylheptylamino)ethoxy]nonan-2-yl]oxyethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[8-methyl-1-[2-(6-methylheptylamino)ethoxy]nonan-2-yl]oxyethoxy]ethoxy]ethoxy]ethanol (PubChem CID 57325113) has the molecular formula C28H59NO6 and a molecular weight of 505.78 g/mol. Its IUPAC name is 2-[2-[2-[2-[8-methyl-1-[2-(6-methylheptylamino)ethoxy]nonan-2-yl]oxyethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[8-methyl-1-[2-(6-methylheptylamino)ethoxy]nonan-2-yl]oxyethoxy]ethoxy]ethoxy]ethanol
PubChem CID57325113
Molecular FormulaC28H59NO6
Molecular Weight505.78 g/mol
Exact Mass505.43
IUPAC Name2-[2-[2-[2-[8-methyl-1-[2-(6-methylheptylamino)ethoxy]nonan-2-yl]oxyethoxy]ethoxy]ethoxy]ethanol
SMILESCC(C)CCCCCNCCOCC(CCCCCC(C)C)OCCOCCOCCOCCO
InChIInChI=1S/C28H59NO6/c1-26(2)11-7-5-9-13-28(25-34-17-15-29-14-10-6-8-12-27(3)4)35-24-23-33-22-21-32-20-19-31-18-16-30/h26-30H,5-25H2,1-4H3
InChIKeyWTRKNMDDUJWRKZ-UHFFFAOYSA-N
XLogP4.84
TPSA78.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds29
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.78
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[8-methyl-1-[2-(6-methylheptylamino)ethoxy]nonan-2-yl]oxyethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-[8-methyl-1-[2-(6-methylheptylamino)ethoxy]nonan-2-yl]oxyethoxy]ethoxy]ethoxy]ethanol (CID 57325113) is 2-[2-[2-[2-[8-methyl-1-[2-(6-methylheptylamino)ethoxy]nonan-2-yl]oxyethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-[8-methyl-1-[2-(6-methylheptylamino)ethoxy]nonan-2-yl]oxyethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-[8-methyl-1-[2-(6-methylheptylamino)ethoxy]nonan-2-yl]oxyethoxy]ethoxy]ethoxy]ethanol is CC(C)CCCCCNCCOCC(CCCCCC(C)C)OCCOCCOCCOCCO.
What is the InChIKey of 2-[2-[2-[2-[8-methyl-1-[2-(6-methylheptylamino)ethoxy]nonan-2-yl]oxyethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is WTRKNMDDUJWRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H59NO6/c1-26(2)11-7-5-9-13-28(25-34-17-15-29-14-10-6-8-12-27(3)4)35-24-23-33-22-21-32-20-19-31-18-16-30/h26-30H,5-25H2,1-4H3.
What are the key properties of 2-[2-[2-[2-[8-methyl-1-[2-(6-methylheptylamino)ethoxy]nonan-2-yl]oxyethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-[8-methyl-1-[2-(6-methylheptylamino)ethoxy]nonan-2-yl]oxyethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 505.78 g/mol, XLogP of 4.84, 29 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[8-methyl-1-[2-(6-methylheptylamino)ethoxy]nonan-2-yl]oxyethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 57325113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).