2-[2-(2-methylpropoxy)ethoxy]ethanol

C8H18O3 — CID 29331

IUPAC2-[2-(2-methylpropoxy)ethoxy]ethanol
SMILESCC(C)COCCOCCO
InChIInChI=1S/C8H18O3/c1-8(2)7-11-6-5-10-4-3-9/h8-9H,3-7H2,1-2H3
InChIKeyYJTIFIMHZHDNQZ-UHFFFAOYSA-N
MW162.23 g/mol
LogP0.67
Rot. Bonds7

About 2-[2-(2-methylpropoxy)ethoxy]ethanol

2-[2-(2-methylpropoxy)ethoxy]ethanol (PubChem CID 29331) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 2-[2-(2-methylpropoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-methylpropoxy)ethoxy]ethanol
PubChem CID29331
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name2-[2-(2-methylpropoxy)ethoxy]ethanol
SMILESCC(C)COCCOCCO
InChIInChI=1S/C8H18O3/c1-8(2)7-11-6-5-10-4-3-9/h8-9H,3-7H2,1-2H3
InChIKeyYJTIFIMHZHDNQZ-UHFFFAOYSA-N
XLogP0.67
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methylpropoxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-methylpropoxy)ethoxy]ethanol (CID 29331) is 2-[2-(2-methylpropoxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-methylpropoxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-methylpropoxy)ethoxy]ethanol is CC(C)COCCOCCO.
What is the InChIKey of 2-[2-(2-methylpropoxy)ethoxy]ethanol?
The InChIKey is YJTIFIMHZHDNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3/c1-8(2)7-11-6-5-10-4-3-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-[2-(2-methylpropoxy)ethoxy]ethanol?
2-[2-(2-methylpropoxy)ethoxy]ethanol has a molecular weight of 162.23 g/mol, XLogP of 0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropoxy)ethoxy]ethanol is sourced from PubChem (CID 29331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).