1-butoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol

C10H22O5 — CID 23496529

IUPAC1-butoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
SMILESCCCCOC(O)COCCOCCO
InChIInChI=1S/C10H22O5/c1-2-3-5-15-10(12)9-14-8-7-13-6-4-11/h10-12H,2-9H2,1H3
InChIKeyXERBFOAIQAUISY-UHFFFAOYSA-N
MW222.28 g/mol
LogP0.15
Rot. Bonds11

About 1-butoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol

1-butoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol (PubChem CID 23496529) has the molecular formula C10H22O5 and a molecular weight of 222.28 g/mol. Its IUPAC name is 1-butoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol.

Molecular Properties

Compound Name1-butoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
PubChem CID23496529
Molecular FormulaC10H22O5
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name1-butoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
SMILESCCCCOC(O)COCCOCCO
InChIInChI=1S/C10H22O5/c1-2-3-5-15-10(12)9-14-8-7-13-6-4-11/h10-12H,2-9H2,1H3
InChIKeyXERBFOAIQAUISY-UHFFFAOYSA-N
XLogP0.15
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The IUPAC name of 1-butoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol (CID 23496529) is 1-butoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol.
What is the SMILES notation for 1-butoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The canonical SMILES for 1-butoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol is CCCCOC(O)COCCOCCO.
What is the InChIKey of 1-butoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The InChIKey is XERBFOAIQAUISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O5/c1-2-3-5-15-10(12)9-14-8-7-13-6-4-11/h10-12H,2-9H2,1H3.
What are the key properties of 1-butoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
1-butoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol has a molecular weight of 222.28 g/mol, XLogP of 0.15, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol is sourced from PubChem (CID 23496529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).