2-[8-(2-hydroxyethoxy)octoxy]ethanol

C12H26O4 — CID 174919525

IUPAC2-[8-(2-hydroxyethoxy)octoxy]ethanol
SMILESOCCOCCCCCCCCOCCO
InChIInChI=1S/C12H26O4/c13-7-11-15-9-5-3-1-2-4-6-10-16-12-8-14/h13-14H,1-12H2
InChIKeyYNDIQSPCZGUNCI-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.34
Rot. Bonds13

About 2-[8-(2-hydroxyethoxy)octoxy]ethanol

2-[8-(2-hydroxyethoxy)octoxy]ethanol (PubChem CID 174919525) has the molecular formula C12H26O4 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[8-(2-hydroxyethoxy)octoxy]ethanol.

Molecular Properties

Compound Name2-[8-(2-hydroxyethoxy)octoxy]ethanol
PubChem CID174919525
Molecular FormulaC12H26O4
Molecular Weight234.34 g/mol
Exact Mass234.18
IUPAC Name2-[8-(2-hydroxyethoxy)octoxy]ethanol
SMILESOCCOCCCCCCCCOCCO
InChIInChI=1S/C12H26O4/c13-7-11-15-9-5-3-1-2-4-6-10-16-12-8-14/h13-14H,1-12H2
InChIKeyYNDIQSPCZGUNCI-UHFFFAOYSA-N
XLogP1.34
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[8-(2-hydroxyethoxy)octoxy]ethanol?
The IUPAC name of 2-[8-(2-hydroxyethoxy)octoxy]ethanol (CID 174919525) is 2-[8-(2-hydroxyethoxy)octoxy]ethanol.
What is the SMILES notation for 2-[8-(2-hydroxyethoxy)octoxy]ethanol?
The canonical SMILES for 2-[8-(2-hydroxyethoxy)octoxy]ethanol is OCCOCCCCCCCCOCCO.
What is the InChIKey of 2-[8-(2-hydroxyethoxy)octoxy]ethanol?
The InChIKey is YNDIQSPCZGUNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4/c13-7-11-15-9-5-3-1-2-4-6-10-16-12-8-14/h13-14H,1-12H2.
What are the key properties of 2-[8-(2-hydroxyethoxy)octoxy]ethanol?
2-[8-(2-hydroxyethoxy)octoxy]ethanol has a molecular weight of 234.34 g/mol, XLogP of 1.34, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2-hydroxyethoxy)octoxy]ethanol is sourced from PubChem (CID 174919525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).