3,5-dimethoxy-4-(methoxymethoxy)-2,6-dimethyloxane

C11H22O5 — CID 20816384

IUPAC3,5-dimethoxy-4-(methoxymethoxy)-2,6-dimethyloxane
SMILESCOCOC1C(OC)C(C)OC(C)C1OC
InChIInChI=1S/C11H22O5/c1-7-9(13-4)11(15-6-12-3)10(14-5)8(2)16-7/h7-11H,6H2,1-5H3
InChIKeyVPCAXJMFPHGFRV-UHFFFAOYSA-N
MW234.29 g/mol
LogP0.81
Rot. Bonds5

About 3,5-dimethoxy-4-(methoxymethoxy)-2,6-dimethyloxane

3,5-dimethoxy-4-(methoxymethoxy)-2,6-dimethyloxane (PubChem CID 20816384) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is 3,5-dimethoxy-4-(methoxymethoxy)-2,6-dimethyloxane.

Molecular Properties

Compound Name3,5-dimethoxy-4-(methoxymethoxy)-2,6-dimethyloxane
PubChem CID20816384
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name3,5-dimethoxy-4-(methoxymethoxy)-2,6-dimethyloxane
SMILESCOCOC1C(OC)C(C)OC(C)C1OC
InChIInChI=1S/C11H22O5/c1-7-9(13-4)11(15-6-12-3)10(14-5)8(2)16-7/h7-11H,6H2,1-5H3
InChIKeyVPCAXJMFPHGFRV-UHFFFAOYSA-N
XLogP0.81
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S,3S,5S,6R)-4-ethoxy-3,5-dimethoxy-2,6-dimethyloxane
CID 163737733
(3S)-3,4,5-trimethoxy-2,6-dimethyloxane
CID 129044476
(2S,3S,4S,5S,6S)-3-ethoxy-4,5-dimethoxy-2,6-dimethyloxane
CID 58620285
(2R,3R,4R,5S,6S)-4-ethoxy-2-[(2R,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-3,5-dimethoxy-6-methyloxane
CID 142763970
(2R,4R,5R)-3,4-dimethoxy-2-(methoxymethyl)-5-methyloxolane
CID 174068913
(3S,4R,5S,6S)-4,5-dimethoxy-2,6-dimethyloxan-3-ol
CID 129044484
(3S,4R,5R,6S)-2-iodo-3,4,5-trimethoxy-6-methyloxane
CID 160900646
(2S,5R)-3,5-dimethoxy-2,6-dimethyloxan-4-ol
CID 129044489
(2S,3S,6R)-6-methoxy-3-(methoxymethoxy)-2-methyloxan-4-one
CID 91801309
3,5-dimethoxy-6-methyl-4-propoxyoxan-2-ol
CID 76621622
(3R,4R,5S,6S)-2-fluoro-3,4,5-trimethoxy-6-methyloxane
CID 134895222
tert-butyl-dimethyl-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxysilane
CID 59441458

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-4-(methoxymethoxy)-2,6-dimethyloxane?
The IUPAC name of 3,5-dimethoxy-4-(methoxymethoxy)-2,6-dimethyloxane (CID 20816384) is 3,5-dimethoxy-4-(methoxymethoxy)-2,6-dimethyloxane.
What is the SMILES notation for 3,5-dimethoxy-4-(methoxymethoxy)-2,6-dimethyloxane?
The canonical SMILES for 3,5-dimethoxy-4-(methoxymethoxy)-2,6-dimethyloxane is COCOC1C(OC)C(C)OC(C)C1OC.
What is the InChIKey of 3,5-dimethoxy-4-(methoxymethoxy)-2,6-dimethyloxane?
The InChIKey is VPCAXJMFPHGFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5/c1-7-9(13-4)11(15-6-12-3)10(14-5)8(2)16-7/h7-11H,6H2,1-5H3.
What are the key properties of 3,5-dimethoxy-4-(methoxymethoxy)-2,6-dimethyloxane?
3,5-dimethoxy-4-(methoxymethoxy)-2,6-dimethyloxane has a molecular weight of 234.29 g/mol, XLogP of 0.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-4-(methoxymethoxy)-2,6-dimethyloxane is sourced from PubChem (CID 20816384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).