3,4,5-trimethoxyoxane

C8H16O4 — CID 526845

IUPAC3,4,5-trimethoxyoxane
SMILESCOC1COCC(OC)C1OC
InChIInChI=1S/C8H16O4/c1-9-6-4-12-5-7(10-2)8(6)11-3/h6-8H,4-5H2,1-3H3
InChIKeyDKQVTQIPWUFZRF-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.06
Rot. Bonds3

About 3,4,5-trimethoxyoxane

3,4,5-trimethoxyoxane (PubChem CID 526845) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 3,4,5-trimethoxyoxane.

Molecular Properties

Compound Name3,4,5-trimethoxyoxane
PubChem CID526845
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name3,4,5-trimethoxyoxane
SMILESCOC1COCC(OC)C1OC
InChIInChI=1S/C8H16O4/c1-9-6-4-12-5-7(10-2)8(6)11-3/h6-8H,4-5H2,1-3H3
InChIKeyDKQVTQIPWUFZRF-UHFFFAOYSA-N
XLogP0.06
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxyoxane?
The IUPAC name of 3,4,5-trimethoxyoxane (CID 526845) is 3,4,5-trimethoxyoxane.
What is the SMILES notation for 3,4,5-trimethoxyoxane?
The canonical SMILES for 3,4,5-trimethoxyoxane is COC1COCC(OC)C1OC.
What is the InChIKey of 3,4,5-trimethoxyoxane?
The InChIKey is DKQVTQIPWUFZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-9-6-4-12-5-7(10-2)8(6)11-3/h6-8H,4-5H2,1-3H3.
What are the key properties of 3,4,5-trimethoxyoxane?
3,4,5-trimethoxyoxane has a molecular weight of 176.21 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxyoxane is sourced from PubChem (CID 526845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).