2-ethoxyoxolan-2-ol

C6H12O3 — CID 71773385

IUPAC2-ethoxyoxolan-2-ol
SMILESCCOC1(O)CCCO1
InChIInChI=1S/C6H12O3/c1-2-8-6(7)4-3-5-9-6/h7H,2-5H2,1H3
InChIKeyGBXXHOMFFXKOGD-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.48
Rot. Bonds2

About 2-ethoxyoxolan-2-ol

2-ethoxyoxolan-2-ol (PubChem CID 71773385) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2-ethoxyoxolan-2-ol.

Molecular Properties

Compound Name2-ethoxyoxolan-2-ol
PubChem CID71773385
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name2-ethoxyoxolan-2-ol
SMILESCCOC1(O)CCCO1
InChIInChI=1S/C6H12O3/c1-2-8-6(7)4-3-5-9-6/h7H,2-5H2,1H3
InChIKeyGBXXHOMFFXKOGD-UHFFFAOYSA-N
XLogP0.48
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethoxyoxolan-2-ol?
The IUPAC name of 2-ethoxyoxolan-2-ol (CID 71773385) is 2-ethoxyoxolan-2-ol.
What is the SMILES notation for 2-ethoxyoxolan-2-ol?
The canonical SMILES for 2-ethoxyoxolan-2-ol is CCOC1(O)CCCO1.
What is the InChIKey of 2-ethoxyoxolan-2-ol?
The InChIKey is GBXXHOMFFXKOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-2-8-6(7)4-3-5-9-6/h7H,2-5H2,1H3.
What are the key properties of 2-ethoxyoxolan-2-ol?
2-ethoxyoxolan-2-ol has a molecular weight of 132.16 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyoxolan-2-ol is sourced from PubChem (CID 71773385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).