2,4,5-trimethoxy-2,4,6-trimethyloxane

C11H22O4 — CID 152784004

IUPAC2,4,5-trimethoxy-2,4,6-trimethyloxane
SMILESCOC1C(C)OC(C)(OC)CC1(C)OC
InChIInChI=1S/C11H22O4/c1-8-9(12-4)10(2,13-5)7-11(3,14-6)15-8/h8-9H,7H2,1-6H3
InChIKeyRUJMXTDUJRASRT-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.58
Rot. Bonds3

About 2,4,5-trimethoxy-2,4,6-trimethyloxane

2,4,5-trimethoxy-2,4,6-trimethyloxane (PubChem CID 152784004) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 2,4,5-trimethoxy-2,4,6-trimethyloxane.

Molecular Properties

Compound Name2,4,5-trimethoxy-2,4,6-trimethyloxane
PubChem CID152784004
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name2,4,5-trimethoxy-2,4,6-trimethyloxane
SMILESCOC1C(C)OC(C)(OC)CC1(C)OC
InChIInChI=1S/C11H22O4/c1-8-9(12-4)10(2,13-5)7-11(3,14-6)15-8/h8-9H,7H2,1-6H3
InChIKeyRUJMXTDUJRASRT-UHFFFAOYSA-N
XLogP1.58
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethoxy-2,4,6-trimethyloxane?
The IUPAC name of 2,4,5-trimethoxy-2,4,6-trimethyloxane (CID 152784004) is 2,4,5-trimethoxy-2,4,6-trimethyloxane.
What is the SMILES notation for 2,4,5-trimethoxy-2,4,6-trimethyloxane?
The canonical SMILES for 2,4,5-trimethoxy-2,4,6-trimethyloxane is COC1C(C)OC(C)(OC)CC1(C)OC.
What is the InChIKey of 2,4,5-trimethoxy-2,4,6-trimethyloxane?
The InChIKey is RUJMXTDUJRASRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-8-9(12-4)10(2,13-5)7-11(3,14-6)15-8/h8-9H,7H2,1-6H3.
What are the key properties of 2,4,5-trimethoxy-2,4,6-trimethyloxane?
2,4,5-trimethoxy-2,4,6-trimethyloxane has a molecular weight of 218.29 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethoxy-2,4,6-trimethyloxane is sourced from PubChem (CID 152784004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).