3,4,5-trimethoxy-2-(methoxymethyl)oxane

C10H20O5 — CID 517804

IUPAC3,4,5-trimethoxy-2-(methoxymethyl)oxane
SMILESCOCC1OCC(OC)C(OC)C1OC
InChIInChI=1S/C10H20O5/c1-11-5-8-10(14-4)9(13-3)7(12-2)6-15-8/h7-10H,5-6H2,1-4H3
InChIKeySQOPNOVHKFZFPJ-UHFFFAOYSA-N
MW220.26 g/mol
LogP0.08
Rot. Bonds5

About 3,4,5-trimethoxy-2-(methoxymethyl)oxane

3,4,5-trimethoxy-2-(methoxymethyl)oxane (PubChem CID 517804) has the molecular formula C10H20O5 and a molecular weight of 220.26 g/mol. Its IUPAC name is 3,4,5-trimethoxy-2-(methoxymethyl)oxane.

Molecular Properties

Compound Name3,4,5-trimethoxy-2-(methoxymethyl)oxane
PubChem CID517804
Molecular FormulaC10H20O5
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name3,4,5-trimethoxy-2-(methoxymethyl)oxane
SMILESCOCC1OCC(OC)C(OC)C1OC
InChIInChI=1S/C10H20O5/c1-11-5-8-10(14-4)9(13-3)7(12-2)6-15-8/h7-10H,5-6H2,1-4H3
InChIKeySQOPNOVHKFZFPJ-UHFFFAOYSA-N
XLogP0.08
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-2-(methoxymethyl)oxane?
The IUPAC name of 3,4,5-trimethoxy-2-(methoxymethyl)oxane (CID 517804) is 3,4,5-trimethoxy-2-(methoxymethyl)oxane.
What is the SMILES notation for 3,4,5-trimethoxy-2-(methoxymethyl)oxane?
The canonical SMILES for 3,4,5-trimethoxy-2-(methoxymethyl)oxane is COCC1OCC(OC)C(OC)C1OC.
What is the InChIKey of 3,4,5-trimethoxy-2-(methoxymethyl)oxane?
The InChIKey is SQOPNOVHKFZFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5/c1-11-5-8-10(14-4)9(13-3)7(12-2)6-15-8/h7-10H,5-6H2,1-4H3.
What are the key properties of 3,4,5-trimethoxy-2-(methoxymethyl)oxane?
3,4,5-trimethoxy-2-(methoxymethyl)oxane has a molecular weight of 220.26 g/mol, XLogP of 0.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-2-(methoxymethyl)oxane is sourced from PubChem (CID 517804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).