2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

C24H42O6 — CID 560774

IUPAC2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESCC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOCCOCCO)cc1
InChIInChI=1S/C24H42O6/c1-23(2,3)20-24(4,5)21-6-8-22(9-7-21)30-19-18-29-17-16-28-15-14-27-13-12-26-11-10-25/h6-9,25H,10-20H2,1-5H3
InChIKeyWQBPSJIAFZCNBR-UHFFFAOYSA-N
MW426.59 g/mol
LogP3.84
Rot. Bonds17

About 2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 560774) has the molecular formula C24H42O6 and a molecular weight of 426.59 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
PubChem CID560774
Molecular FormulaC24H42O6
Molecular Weight426.59 g/mol
Exact Mass426.30
IUPAC Name2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESCC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOCCOCCO)cc1
InChIInChI=1S/C24H42O6/c1-23(2,3)20-24(4,5)21-6-8-22(9-7-21)30-19-18-29-17-16-28-15-14-27-13-12-26-11-10-25/h6-9,25H,10-20H2,1-5H3
InChIKeyWQBPSJIAFZCNBR-UHFFFAOYSA-N
XLogP3.84
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 53.84
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 560774) is 2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOCCOCCO)cc1.
What is the InChIKey of 2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is WQBPSJIAFZCNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O6/c1-23(2,3)20-24(4,5)21-6-8-22(9-7-21)30-19-18-29-17-16-28-15-14-27-13-12-26-11-10-25/h6-9,25H,10-20H2,1-5H3.
What are the key properties of 2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 426.59 g/mol, XLogP of 3.84, 17 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-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 560774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).