2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]-5-(2,4,4-trimethylpentan-2-yl)phenol

C25H42O6 — CID 70389258

IUPAC2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]-5-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOC2CCCCO2)c(O)c1
InChIInChI=1S/C25H42O6/c1-24(2,3)19-25(4,5)20-9-10-22(21(26)18-20)29-16-14-27-12-13-28-15-17-31-23-8-6-7-11-30-23/h9-10,18,23,26H,6-8,11-17,19H2,1-5H3
InChIKeyOVKTWEKBKAFYEK-UHFFFAOYSA-N
MW438.61 g/mol
LogP5.06
Rot. Bonds13

About 2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]-5-(2,4,4-trimethylpentan-2-yl)phenol

2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]-5-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 70389258) has the molecular formula C25H42O6 and a molecular weight of 438.61 g/mol. Its IUPAC name is 2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]-5-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

Compound Name2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]-5-(2,4,4-trimethylpentan-2-yl)phenol
PubChem CID70389258
Molecular FormulaC25H42O6
Molecular Weight438.61 g/mol
Exact Mass438.30
IUPAC Name2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]-5-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOC2CCCCO2)c(O)c1
InChIInChI=1S/C25H42O6/c1-24(2,3)19-25(4,5)20-9-10-22(21(26)18-20)29-16-14-27-12-13-28-15-17-31-23-8-6-7-11-30-23/h9-10,18,23,26H,6-8,11-17,19H2,1-5H3
InChIKeyOVKTWEKBKAFYEK-UHFFFAOYSA-N
XLogP5.06
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.61
LogP ≤ 55.06
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-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]-5-(2,4,4-trimethylpentan-2-yl)phenol?
The IUPAC name of 2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]-5-(2,4,4-trimethylpentan-2-yl)phenol (CID 70389258) is 2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]-5-(2,4,4-trimethylpentan-2-yl)phenol.
What is the SMILES notation for 2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]-5-(2,4,4-trimethylpentan-2-yl)phenol?
The canonical SMILES for 2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]-5-(2,4,4-trimethylpentan-2-yl)phenol is CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOC2CCCCO2)c(O)c1.
What is the InChIKey of 2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]-5-(2,4,4-trimethylpentan-2-yl)phenol?
The InChIKey is OVKTWEKBKAFYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42O6/c1-24(2,3)19-25(4,5)20-9-10-22(21(26)18-20)29-16-14-27-12-13-28-15-17-31-23-8-6-7-11-30-23/h9-10,18,23,26H,6-8,11-17,19H2,1-5H3.
What are the key properties of 2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]-5-(2,4,4-trimethylpentan-2-yl)phenol?
2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]-5-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 438.61 g/mol, XLogP of 5.06, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]-5-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 70389258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).