2-[2-(oxolan-3-ylamino)ethoxy]ethanol

C8H17NO3 — CID 63331737

IUPAC2-[2-(oxolan-3-ylamino)ethoxy]ethanol
SMILESOCCOCCNC1CCOC1
InChIInChI=1S/C8H17NO3/c10-3-6-11-5-2-9-8-1-4-12-7-8/h8-10H,1-7H2
InChIKeyGHRHZMWUQGQEGA-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.63
Rot. Bonds6

About 2-[2-(oxolan-3-ylamino)ethoxy]ethanol

2-[2-(oxolan-3-ylamino)ethoxy]ethanol (PubChem CID 63331737) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-[2-(oxolan-3-ylamino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(oxolan-3-ylamino)ethoxy]ethanol
PubChem CID63331737
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name2-[2-(oxolan-3-ylamino)ethoxy]ethanol
SMILESOCCOCCNC1CCOC1
InChIInChI=1S/C8H17NO3/c10-3-6-11-5-2-9-8-1-4-12-7-8/h8-10H,1-7H2
InChIKeyGHRHZMWUQGQEGA-UHFFFAOYSA-N
XLogP-0.63
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.63
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxolan-3-ylamino)ethoxy]ethanol?
The IUPAC name of 2-[2-(oxolan-3-ylamino)ethoxy]ethanol (CID 63331737) is 2-[2-(oxolan-3-ylamino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(oxolan-3-ylamino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(oxolan-3-ylamino)ethoxy]ethanol is OCCOCCNC1CCOC1.
What is the InChIKey of 2-[2-(oxolan-3-ylamino)ethoxy]ethanol?
The InChIKey is GHRHZMWUQGQEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c10-3-6-11-5-2-9-8-1-4-12-7-8/h8-10H,1-7H2.
What are the key properties of 2-[2-(oxolan-3-ylamino)ethoxy]ethanol?
2-[2-(oxolan-3-ylamino)ethoxy]ethanol has a molecular weight of 175.23 g/mol, XLogP of -0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxolan-3-ylamino)ethoxy]ethanol is sourced from PubChem (CID 63331737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).