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

C8H18O5 — CID 19920024

IUPAC1-ethoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
SMILESCCOC(O)COCCOCCO
InChIInChI=1S/C8H18O5/c1-2-13-8(10)7-12-6-5-11-4-3-9/h8-10H,2-7H2,1H3
InChIKeyAPBZWBULQFGQFT-UHFFFAOYSA-N
MW194.23 g/mol
LogP-0.63
Rot. Bonds9

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

1-ethoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol (PubChem CID 19920024) has the molecular formula C8H18O5 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-ethoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol.

Molecular Properties

Compound Name1-ethoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
PubChem CID19920024
Molecular FormulaC8H18O5
Molecular Weight194.23 g/mol
Exact Mass194.12
IUPAC Name1-ethoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
SMILESCCOC(O)COCCOCCO
InChIInChI=1S/C8H18O5/c1-2-13-8(10)7-12-6-5-11-4-3-9/h8-10H,2-7H2,1H3
InChIKeyAPBZWBULQFGQFT-UHFFFAOYSA-N
XLogP-0.63
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-0.63
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-ethoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The IUPAC name of 1-ethoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol (CID 19920024) is 1-ethoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol.
What is the SMILES notation for 1-ethoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The canonical SMILES for 1-ethoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol is CCOC(O)COCCOCCO.
What is the InChIKey of 1-ethoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The InChIKey is APBZWBULQFGQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O5/c1-2-13-8(10)7-12-6-5-11-4-3-9/h8-10H,2-7H2,1H3.
What are the key properties of 1-ethoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
1-ethoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol has a molecular weight of 194.23 g/mol, XLogP of -0.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol is sourced from PubChem (CID 19920024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).