2-[2-[2-[2-[2-(9-methyldecan-4-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol

C21H44O6 — CID 142651386

IUPAC2-[2-[2-[2-[2-(9-methyldecan-4-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESCCCC(CCCCC(C)C)OCCOCCOCCOCCOCCO
InChIInChI=1S/C21H44O6/c1-4-7-21(9-6-5-8-20(2)3)27-19-18-26-17-16-25-15-14-24-13-12-23-11-10-22/h20-22H,4-19H2,1-3H3
InChIKeyIATYQAFCDMGVSN-UHFFFAOYSA-N
MW392.58 g/mol
LogP3.45
Rot. Bonds22

About 2-[2-[2-[2-[2-(9-methyldecan-4-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[2-(9-methyldecan-4-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 142651386) has the molecular formula C21H44O6 and a molecular weight of 392.58 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(9-methyldecan-4-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(9-methyldecan-4-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
PubChem CID142651386
Molecular FormulaC21H44O6
Molecular Weight392.58 g/mol
Exact Mass392.31
IUPAC Name2-[2-[2-[2-[2-(9-methyldecan-4-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESCCCC(CCCCC(C)C)OCCOCCOCCOCCOCCO
InChIInChI=1S/C21H44O6/c1-4-7-21(9-6-5-8-20(2)3)27-19-18-26-17-16-25-15-14-24-13-12-23-11-10-22/h20-22H,4-19H2,1-3H3
InChIKeyIATYQAFCDMGVSN-UHFFFAOYSA-N
XLogP3.45
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.58
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-(9-methyldecan-4-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-[2-(9-methyldecan-4-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 142651386) is 2-[2-[2-[2-[2-(9-methyldecan-4-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-[2-(9-methyldecan-4-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-[2-(9-methyldecan-4-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol is CCCC(CCCCC(C)C)OCCOCCOCCOCCOCCO.
What is the InChIKey of 2-[2-[2-[2-[2-(9-methyldecan-4-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is IATYQAFCDMGVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O6/c1-4-7-21(9-6-5-8-20(2)3)27-19-18-26-17-16-25-15-14-24-13-12-23-11-10-22/h20-22H,4-19H2,1-3H3.
What are the key properties of 2-[2-[2-[2-[2-(9-methyldecan-4-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-[2-(9-methyldecan-4-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 392.58 g/mol, XLogP of 3.45, 22 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(9-methyldecan-4-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 142651386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).