2-[1,1-bis(2-hydroxyethoxy)propoxy]ethanol

C9H20O6 — CID 22365647

IUPAC2-[1,1-bis(2-hydroxyethoxy)propoxy]ethanol
SMILESCCC(OCCO)(OCCO)OCCO
InChIInChI=1S/C9H20O6/c1-2-9(13-6-3-10,14-7-4-11)15-8-5-12/h10-12H,2-8H2,1H3
InChIKeyIIPADLGLUUHMEF-UHFFFAOYSA-N
MW224.25 g/mol
LogP-0.92
Rot. Bonds10

About 2-[1,1-bis(2-hydroxyethoxy)propoxy]ethanol

2-[1,1-bis(2-hydroxyethoxy)propoxy]ethanol (PubChem CID 22365647) has the molecular formula C9H20O6 and a molecular weight of 224.25 g/mol. Its IUPAC name is 2-[1,1-bis(2-hydroxyethoxy)propoxy]ethanol.

Molecular Properties

Compound Name2-[1,1-bis(2-hydroxyethoxy)propoxy]ethanol
PubChem CID22365647
Molecular FormulaC9H20O6
Molecular Weight224.25 g/mol
Exact Mass224.13
IUPAC Name2-[1,1-bis(2-hydroxyethoxy)propoxy]ethanol
SMILESCCC(OCCO)(OCCO)OCCO
InChIInChI=1S/C9H20O6/c1-2-9(13-6-3-10,14-7-4-11)15-8-5-12/h10-12H,2-8H2,1H3
InChIKeyIIPADLGLUUHMEF-UHFFFAOYSA-N
XLogP-0.92
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1,1-bis(2-hydroxyethoxy)propoxy]ethanol?
The IUPAC name of 2-[1,1-bis(2-hydroxyethoxy)propoxy]ethanol (CID 22365647) is 2-[1,1-bis(2-hydroxyethoxy)propoxy]ethanol.
What is the SMILES notation for 2-[1,1-bis(2-hydroxyethoxy)propoxy]ethanol?
The canonical SMILES for 2-[1,1-bis(2-hydroxyethoxy)propoxy]ethanol is CCC(OCCO)(OCCO)OCCO.
What is the InChIKey of 2-[1,1-bis(2-hydroxyethoxy)propoxy]ethanol?
The InChIKey is IIPADLGLUUHMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O6/c1-2-9(13-6-3-10,14-7-4-11)15-8-5-12/h10-12H,2-8H2,1H3.
What are the key properties of 2-[1,1-bis(2-hydroxyethoxy)propoxy]ethanol?
2-[1,1-bis(2-hydroxyethoxy)propoxy]ethanol has a molecular weight of 224.25 g/mol, XLogP of -0.92, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1-bis(2-hydroxyethoxy)propoxy]ethanol is sourced from PubChem (CID 22365647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).