2-[2-(2-methylprop-2-enoxy)ethoxy]ethanol

C8H16O3 — CID 14250672

IUPAC2-[2-(2-methylprop-2-enoxy)ethoxy]ethanol
SMILESC=C(C)COCCOCCO
InChIInChI=1S/C8H16O3/c1-8(2)7-11-6-5-10-4-3-9/h9H,1,3-7H2,2H3
InChIKeyYETPICIAFMJVJU-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.59
Rot. Bonds7

About 2-[2-(2-methylprop-2-enoxy)ethoxy]ethanol

2-[2-(2-methylprop-2-enoxy)ethoxy]ethanol (PubChem CID 14250672) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-[2-(2-methylprop-2-enoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-methylprop-2-enoxy)ethoxy]ethanol
PubChem CID14250672
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-[2-(2-methylprop-2-enoxy)ethoxy]ethanol
SMILESC=C(C)COCCOCCO
InChIInChI=1S/C8H16O3/c1-8(2)7-11-6-5-10-4-3-9/h9H,1,3-7H2,2H3
InChIKeyYETPICIAFMJVJU-UHFFFAOYSA-N
XLogP0.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(2-methylprop-2-enoxy)ethoxy]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylprop-2-enoxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-methylprop-2-enoxy)ethoxy]ethanol (CID 14250672) is 2-[2-(2-methylprop-2-enoxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-methylprop-2-enoxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-methylprop-2-enoxy)ethoxy]ethanol is C=C(C)COCCOCCO.
What is the InChIKey of 2-[2-(2-methylprop-2-enoxy)ethoxy]ethanol?
The InChIKey is YETPICIAFMJVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-8(2)7-11-6-5-10-4-3-9/h9H,1,3-7H2,2H3.
What are the key properties of 2-[2-(2-methylprop-2-enoxy)ethoxy]ethanol?
2-[2-(2-methylprop-2-enoxy)ethoxy]ethanol has a molecular weight of 160.21 g/mol, XLogP of 0.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylprop-2-enoxy)ethoxy]ethanol is sourced from PubChem (CID 14250672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).