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

C10H22O3 — CID 25009

IUPAC2-[2-(2-methylpentoxy)ethoxy]ethanol
SMILESCCCC(C)COCCOCCO
InChIInChI=1S/C10H22O3/c1-3-4-10(2)9-13-8-7-12-6-5-11/h10-11H,3-9H2,1-2H3
InChIKeyLSCNICLUNGUIRB-UHFFFAOYSA-N
MW190.28 g/mol
LogP1.45
Rot. Bonds9

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

2-[2-(2-methylpentoxy)ethoxy]ethanol (PubChem CID 25009) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is 2-[2-(2-methylpentoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-methylpentoxy)ethoxy]ethanol
PubChem CID25009
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Name2-[2-(2-methylpentoxy)ethoxy]ethanol
SMILESCCCC(C)COCCOCCO
InChIInChI=1S/C10H22O3/c1-3-4-10(2)9-13-8-7-12-6-5-11/h10-11H,3-9H2,1-2H3
InChIKeyLSCNICLUNGUIRB-UHFFFAOYSA-N
XLogP1.45
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 51.45
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-methylpentoxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-methylpentoxy)ethoxy]ethanol (CID 25009) is 2-[2-(2-methylpentoxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-methylpentoxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-methylpentoxy)ethoxy]ethanol is CCCC(C)COCCOCCO.
What is the InChIKey of 2-[2-(2-methylpentoxy)ethoxy]ethanol?
The InChIKey is LSCNICLUNGUIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3/c1-3-4-10(2)9-13-8-7-12-6-5-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-[2-(2-methylpentoxy)ethoxy]ethanol?
2-[2-(2-methylpentoxy)ethoxy]ethanol has a molecular weight of 190.28 g/mol, XLogP of 1.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpentoxy)ethoxy]ethanol is sourced from PubChem (CID 25009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).