(3R,5S,6S)-3-methoxy-2-(methoxymethyl)-4,5,6-trimethyloxane

C11H22O3 — CID 71166951

IUPAC(3R,5S,6S)-3-methoxy-2-(methoxymethyl)-4,5,6-trimethyloxane
SMILESCOCC1O[C@@H](C)[C@@H](C)C(C)[C@H]1OC
InChIInChI=1S/C11H22O3/c1-7-8(2)11(13-5)10(6-12-4)14-9(7)3/h7-11H,6H2,1-5H3/t7-,8?,9-,10?,11+/m0/s1
InChIKeyOKPWOLFXWZOALL-VZXJAKMGSA-N
MW202.29 g/mol
LogP1.71
Rot. Bonds3

About (3R,5S,6S)-3-methoxy-2-(methoxymethyl)-4,5,6-trimethyloxane

(3R,5S,6S)-3-methoxy-2-(methoxymethyl)-4,5,6-trimethyloxane (PubChem CID 71166951) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is (3R,5S,6S)-3-methoxy-2-(methoxymethyl)-4,5,6-trimethyloxane.

Molecular Properties

Compound Name(3R,5S,6S)-3-methoxy-2-(methoxymethyl)-4,5,6-trimethyloxane
PubChem CID71166951
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name(3R,5S,6S)-3-methoxy-2-(methoxymethyl)-4,5,6-trimethyloxane
SMILESCOCC1O[C@@H](C)[C@@H](C)C(C)[C@H]1OC
InChIInChI=1S/C11H22O3/c1-7-8(2)11(13-5)10(6-12-4)14-9(7)3/h7-11H,6H2,1-5H3/t7-,8?,9-,10?,11+/m0/s1
InChIKeyOKPWOLFXWZOALL-VZXJAKMGSA-N
XLogP1.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R,5R)-3,4-dimethoxy-2-(methoxymethyl)-5-methyloxolane
CID 174068913
2-(methoxymethyl)-3,4,5-trimethyloxolane
CID 21349670
2-ethyl-3-methoxy-4,5,6-trimethyloxane
CID 20632118
(3S,5S,6R)-2-ethyl-3-methoxy-4,5,6-trimethyloxane
CID 159477864
3-ethenoxy-4-methoxy-2-(methoxymethyl)-5-methyloxolane
CID 139492004
2-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxyethanamine
CID 130187739
(2R,3S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane;(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-ol
CID 158901360
(2R,4R,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane;(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-ol
CID 158901361
(2R,4S,5R)-2,3,4-trimethoxy-6-(methoxymethyl)-5-methyloxane
CID 176646378
(3-methoxy-4,5-dimethyloxolan-2-yl)methoxy-[2-(methoxymethyl)-4,5-dimethyloxolan-3-yl]oxy-oxido-sulfanylidene-λ5-phosphane;3-[(3-methoxy-4,5-dimethyloxolan-2-yl)methoxy-methylphosphoryl]oxy-2-(methoxymethyl)-4,5-dimethyloxolane
CID 159327711
(3S,4R,6S)-2-ethyl-3-[(2R,4R,5S)-6-[[(4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxymethyl]-5-methoxy-3,4-dimethyloxan-2-yl]oxy-4,5,6-trimethyloxane
CID 71047600
(3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-6-[(3S,4R,6R)-6-[(3R,4S,6S)-4,5-dimethoxy-6-[(3S,4R,6S)-4-methoxy-2-(methoxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(methoxymethyl)-5-methyloxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol
CID 88937299

Frequently Asked Questions

What is the IUPAC name of (3R,5S,6S)-3-methoxy-2-(methoxymethyl)-4,5,6-trimethyloxane?
The IUPAC name of (3R,5S,6S)-3-methoxy-2-(methoxymethyl)-4,5,6-trimethyloxane (CID 71166951) is (3R,5S,6S)-3-methoxy-2-(methoxymethyl)-4,5,6-trimethyloxane.
What is the SMILES notation for (3R,5S,6S)-3-methoxy-2-(methoxymethyl)-4,5,6-trimethyloxane?
The canonical SMILES for (3R,5S,6S)-3-methoxy-2-(methoxymethyl)-4,5,6-trimethyloxane is COCC1O[C@@H](C)[C@@H](C)C(C)[C@H]1OC.
What is the InChIKey of (3R,5S,6S)-3-methoxy-2-(methoxymethyl)-4,5,6-trimethyloxane?
The InChIKey is OKPWOLFXWZOALL-VZXJAKMGSA-N. The full InChI is InChI=1S/C11H22O3/c1-7-8(2)11(13-5)10(6-12-4)14-9(7)3/h7-11H,6H2,1-5H3/t7-,8?,9-,10?,11+/m0/s1.
What are the key properties of (3R,5S,6S)-3-methoxy-2-(methoxymethyl)-4,5,6-trimethyloxane?
(3R,5S,6S)-3-methoxy-2-(methoxymethyl)-4,5,6-trimethyloxane has a molecular weight of 202.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S,6S)-3-methoxy-2-(methoxymethyl)-4,5,6-trimethyloxane is sourced from PubChem (CID 71166951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).