2-ethoxyoxane-3,4,5-triol

C7H14O5 — CID 22495206

IUPAC2-ethoxyoxane-3,4,5-triol
SMILESCCOC1OCC(O)C(O)C1O
InChIInChI=1S/C7H14O5/c1-2-11-7-6(10)5(9)4(8)3-12-7/h4-10H,2-3H2,1H3
InChIKeyUBUITGRMYNAZAX-UHFFFAOYSA-N
MW178.18 g/mol
LogP-1.54
Rot. Bonds2

About 2-ethoxyoxane-3,4,5-triol

2-ethoxyoxane-3,4,5-triol (PubChem CID 22495206) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is 2-ethoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name2-ethoxyoxane-3,4,5-triol
PubChem CID22495206
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name2-ethoxyoxane-3,4,5-triol
SMILESCCOC1OCC(O)C(O)C1O
InChIInChI=1S/C7H14O5/c1-2-11-7-6(10)5(9)4(8)3-12-7/h4-10H,2-3H2,1H3
InChIKeyUBUITGRMYNAZAX-UHFFFAOYSA-N
XLogP-1.54
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyoxane-3,4,5-triol?
The IUPAC name of 2-ethoxyoxane-3,4,5-triol (CID 22495206) is 2-ethoxyoxane-3,4,5-triol.
What is the SMILES notation for 2-ethoxyoxane-3,4,5-triol?
The canonical SMILES for 2-ethoxyoxane-3,4,5-triol is CCOC1OCC(O)C(O)C1O.
What is the InChIKey of 2-ethoxyoxane-3,4,5-triol?
The InChIKey is UBUITGRMYNAZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O5/c1-2-11-7-6(10)5(9)4(8)3-12-7/h4-10H,2-3H2,1H3.
What are the key properties of 2-ethoxyoxane-3,4,5-triol?
2-ethoxyoxane-3,4,5-triol has a molecular weight of 178.18 g/mol, XLogP of -1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyoxane-3,4,5-triol is sourced from PubChem (CID 22495206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).