2-[2-(2-hydroxyethoxy)ethoxy]-2-(oxetan-2-yl)ethanol

C9H18O5 — CID 66745386

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]-2-(oxetan-2-yl)ethanol
SMILESOCCOCCOC(CO)C1CCO1
InChIInChI=1S/C9H18O5/c10-2-4-12-5-6-14-9(7-11)8-1-3-13-8/h8-11H,1-7H2
InChIKeyKRCLMQPUYJPGQJ-UHFFFAOYSA-N
MW206.24 g/mol
LogP-0.84
Rot. Bonds8

About 2-[2-(2-hydroxyethoxy)ethoxy]-2-(oxetan-2-yl)ethanol

2-[2-(2-hydroxyethoxy)ethoxy]-2-(oxetan-2-yl)ethanol (PubChem CID 66745386) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]-2-(oxetan-2-yl)ethanol.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]-2-(oxetan-2-yl)ethanol
PubChem CID66745386
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]-2-(oxetan-2-yl)ethanol
SMILESOCCOCCOC(CO)C1CCO1
InChIInChI=1S/C9H18O5/c10-2-4-12-5-6-14-9(7-11)8-1-3-13-8/h8-11H,1-7H2
InChIKeyKRCLMQPUYJPGQJ-UHFFFAOYSA-N
XLogP-0.84
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-hydroxyethoxy)ethoxy]-2-(oxetan-2-yl)ethanol?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]-2-(oxetan-2-yl)ethanol (CID 66745386) is 2-[2-(2-hydroxyethoxy)ethoxy]-2-(oxetan-2-yl)ethanol.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]-2-(oxetan-2-yl)ethanol?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]-2-(oxetan-2-yl)ethanol is OCCOCCOC(CO)C1CCO1.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]-2-(oxetan-2-yl)ethanol?
The InChIKey is KRCLMQPUYJPGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5/c10-2-4-12-5-6-14-9(7-11)8-1-3-13-8/h8-11H,1-7H2.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]-2-(oxetan-2-yl)ethanol?
2-[2-(2-hydroxyethoxy)ethoxy]-2-(oxetan-2-yl)ethanol has a molecular weight of 206.24 g/mol, XLogP of -0.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]-2-(oxetan-2-yl)ethanol is sourced from PubChem (CID 66745386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).