3,4-diethoxyoxolane

C8H16O3 — CID 14307969

IUPAC3,4-diethoxyoxolane
SMILESCCOC1COCC1OCC
InChIInChI=1S/C8H16O3/c1-3-10-7-5-9-6-8(7)11-4-2/h7-8H,3-6H2,1-2H3
InChIKeyZADPQAVDVYPQTB-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.83
Rot. Bonds4

About 3,4-diethoxyoxolane

3,4-diethoxyoxolane (PubChem CID 14307969) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 3,4-diethoxyoxolane.

Molecular Properties

Compound Name3,4-diethoxyoxolane
PubChem CID14307969
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name3,4-diethoxyoxolane
SMILESCCOC1COCC1OCC
InChIInChI=1S/C8H16O3/c1-3-10-7-5-9-6-8(7)11-4-2/h7-8H,3-6H2,1-2H3
InChIKeyZADPQAVDVYPQTB-UHFFFAOYSA-N
XLogP0.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxyoxolane?
The IUPAC name of 3,4-diethoxyoxolane (CID 14307969) is 3,4-diethoxyoxolane.
What is the SMILES notation for 3,4-diethoxyoxolane?
The canonical SMILES for 3,4-diethoxyoxolane is CCOC1COCC1OCC.
What is the InChIKey of 3,4-diethoxyoxolane?
The InChIKey is ZADPQAVDVYPQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-3-10-7-5-9-6-8(7)11-4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 3,4-diethoxyoxolane?
3,4-diethoxyoxolane has a molecular weight of 160.21 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxyoxolane is sourced from PubChem (CID 14307969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).