(2S,3S,5S,6R)-4-ethoxy-3,5-dimethoxy-2,6-dimethyloxane

C11H22O4 — CID 163737733

IUPAC(2S,3S,5S,6R)-4-ethoxy-3,5-dimethoxy-2,6-dimethyloxane
SMILESCCOC1[C@@H](OC)[C@H](C)O[C@H](C)[C@@H]1OC
InChIInChI=1S/C11H22O4/c1-6-14-11-9(12-4)7(2)15-8(3)10(11)13-5/h7-11H,6H2,1-5H3/t7-,8+,9-,10-,11?/m0/s1
InChIKeyOUXZSSPMHRGXFT-JRALQKAMSA-N
MW218.29 g/mol
LogP1.23
Rot. Bonds4

About (2S,3S,5S,6R)-4-ethoxy-3,5-dimethoxy-2,6-dimethyloxane

(2S,3S,5S,6R)-4-ethoxy-3,5-dimethoxy-2,6-dimethyloxane (PubChem CID 163737733) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is (2S,3S,5S,6R)-4-ethoxy-3,5-dimethoxy-2,6-dimethyloxane.

Molecular Properties

Compound Name(2S,3S,5S,6R)-4-ethoxy-3,5-dimethoxy-2,6-dimethyloxane
PubChem CID163737733
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name(2S,3S,5S,6R)-4-ethoxy-3,5-dimethoxy-2,6-dimethyloxane
SMILESCCOC1[C@@H](OC)[C@H](C)O[C@H](C)[C@@H]1OC
InChIInChI=1S/C11H22O4/c1-6-14-11-9(12-4)7(2)15-8(3)10(11)13-5/h7-11H,6H2,1-5H3/t7-,8+,9-,10-,11?/m0/s1
InChIKeyOUXZSSPMHRGXFT-JRALQKAMSA-N
XLogP1.23
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(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
3,5-dimethoxy-4-(methoxymethoxy)-2,6-dimethyloxane
CID 20816384
(3S)-3,4,5-trimethoxy-2,6-dimethyloxane
CID 129044476
3,5-dimethoxy-6-methyl-4-propoxyoxan-2-ol
CID 76621622
(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
(3R,4R,5S,6S)-2-fluoro-3,4,5-trimethoxy-6-methyloxane
CID 134895222
(2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol
CID 157162950
(2S,5R)-3,5-dimethoxy-2,6-dimethyloxan-4-ol
CID 129044489
[(2S,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl] N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]carbamate
CID 59441480
[(2S,3R,4R,5S,6S)-3,5-dimethoxy-6-methyl-4-propoxyoxan-2-yl] N-methylcarbamate
CID 146320209

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5S,6R)-4-ethoxy-3,5-dimethoxy-2,6-dimethyloxane?
The IUPAC name of (2S,3S,5S,6R)-4-ethoxy-3,5-dimethoxy-2,6-dimethyloxane (CID 163737733) is (2S,3S,5S,6R)-4-ethoxy-3,5-dimethoxy-2,6-dimethyloxane.
What is the SMILES notation for (2S,3S,5S,6R)-4-ethoxy-3,5-dimethoxy-2,6-dimethyloxane?
The canonical SMILES for (2S,3S,5S,6R)-4-ethoxy-3,5-dimethoxy-2,6-dimethyloxane is CCOC1[C@@H](OC)[C@H](C)O[C@H](C)[C@@H]1OC.
What is the InChIKey of (2S,3S,5S,6R)-4-ethoxy-3,5-dimethoxy-2,6-dimethyloxane?
The InChIKey is OUXZSSPMHRGXFT-JRALQKAMSA-N. The full InChI is InChI=1S/C11H22O4/c1-6-14-11-9(12-4)7(2)15-8(3)10(11)13-5/h7-11H,6H2,1-5H3/t7-,8+,9-,10-,11?/m0/s1.
What are the key properties of (2S,3S,5S,6R)-4-ethoxy-3,5-dimethoxy-2,6-dimethyloxane?
(2S,3S,5S,6R)-4-ethoxy-3,5-dimethoxy-2,6-dimethyloxane has a molecular weight of 218.29 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S,6R)-4-ethoxy-3,5-dimethoxy-2,6-dimethyloxane is sourced from PubChem (CID 163737733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).