2-methoxy-3,5,6-trimethyl-4-[3,4,6-trimethyl-5-(3,4,5,6-tetramethyloxan-2-yl)oxyoxan-2-yl]oxyoxane

C26H48O6 — CID 20577429

IUPAC2-methoxy-3,5,6-trimethyl-4-[3,4,6-trimethyl-5-(3,4,5,6-tetramethyloxan-2-yl)oxyoxan-2-yl]oxyoxane
SMILESCOC1OC(C)C(C)C(OC2OC(C)C(OC3OC(C)C(C)C(C)C3C)C(C)C2C)C1C
InChIInChI=1S/C26H48O6/c1-12-13(2)19(8)29-25(15(12)4)32-23-14(3)16(5)26(30-21(23)10)31-22-17(6)20(9)28-24(27-11)18(22)7/h12-26H,1-11H3
InChIKeyICVHARBDUAZSBU-UHFFFAOYSA-N
MW456.66 g/mol
LogP5.09
Rot. Bonds5

About 2-methoxy-3,5,6-trimethyl-4-[3,4,6-trimethyl-5-(3,4,5,6-tetramethyloxan-2-yl)oxyoxan-2-yl]oxyoxane

2-methoxy-3,5,6-trimethyl-4-[3,4,6-trimethyl-5-(3,4,5,6-tetramethyloxan-2-yl)oxyoxan-2-yl]oxyoxane (PubChem CID 20577429) has the molecular formula C26H48O6 and a molecular weight of 456.66 g/mol. Its IUPAC name is 2-methoxy-3,5,6-trimethyl-4-[3,4,6-trimethyl-5-(3,4,5,6-tetramethyloxan-2-yl)oxyoxan-2-yl]oxyoxane.

Molecular Properties

Compound Name2-methoxy-3,5,6-trimethyl-4-[3,4,6-trimethyl-5-(3,4,5,6-tetramethyloxan-2-yl)oxyoxan-2-yl]oxyoxane
PubChem CID20577429
Molecular FormulaC26H48O6
Molecular Weight456.66 g/mol
Exact Mass456.35
IUPAC Name2-methoxy-3,5,6-trimethyl-4-[3,4,6-trimethyl-5-(3,4,5,6-tetramethyloxan-2-yl)oxyoxan-2-yl]oxyoxane
SMILESCOC1OC(C)C(C)C(OC2OC(C)C(OC3OC(C)C(C)C(C)C3C)C(C)C2C)C1C
InChIInChI=1S/C26H48O6/c1-12-13(2)19(8)29-25(15(12)4)32-23-14(3)16(5)26(30-21(23)10)31-22-17(6)20(9)28-24(27-11)18(22)7/h12-26H,1-11H3
InChIKeyICVHARBDUAZSBU-UHFFFAOYSA-N
XLogP5.09
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.66
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 22950330
(2S,3S,6R,11R)-3,11-dimethyl-2-(oxan-2-yloxymethyl)-1,7-dioxaspiro[5.5]undecane
CID 12041355
(2R,3R,4S,5S,6R)-2-[(3R)-3-ethyl-4-methylpentoxy]-6-[[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
CID 162910983
(2R,3R,4S,5S,6R)-2-[(3R)-3-ethyl-4-methylpentoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
CID 162910984
Glc2Me3Me4Me6Me(b1-4)Glc2Me3Me6Me(b1-4)b-Glc1Me2Me3Me6Me
CID 44263857
(6S,8aS)-8-[(2S,5R)-3-fluoro-4,5-dimethoxy-6-methyloxan-2-yl]oxy-2,6,7-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 53841364
(3S,4S,6R)-2-ethyl-5-[(2R,4S,5S)-6-ethyl-3-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]oxy-6-fluoro-3,4-dimethyloxane
CID 121288483
(2S,3S,6R)-2-ethyl-5-[(2R,5S,6S)-6-ethyl-3-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]oxy-6-fluoro-3,4-dimethyloxane
CID 121288486
(3S,6R)-2-ethyl-5-[(2R,5S,6S)-6-ethyl-3-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]oxy-6-fluoro-3,4-dimethyloxane
CID 121288490
[(2R,4S,5S)-6-ethyl-2-[(2R,4S,5S)-6-ethyl-2-[(2R,4S,5S)-6-ethyl-2-fluoro-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl] acetate
CID 159207268
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R)-2-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]hexoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 126476614
(3R,6S)-2-(hydroxymethyl)-6-[(3S,6S)-5-[(2S,4S,5S)-3-hydroxy-4,5,6-trimethyloxan-2-yl]oxy-2-methoxy-6-methyl-3-[(3R,4R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxyoxane-3,4,5-triol
CID 134864064

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,5,6-trimethyl-4-[3,4,6-trimethyl-5-(3,4,5,6-tetramethyloxan-2-yl)oxyoxan-2-yl]oxyoxane?
The IUPAC name of 2-methoxy-3,5,6-trimethyl-4-[3,4,6-trimethyl-5-(3,4,5,6-tetramethyloxan-2-yl)oxyoxan-2-yl]oxyoxane (CID 20577429) is 2-methoxy-3,5,6-trimethyl-4-[3,4,6-trimethyl-5-(3,4,5,6-tetramethyloxan-2-yl)oxyoxan-2-yl]oxyoxane.
What is the SMILES notation for 2-methoxy-3,5,6-trimethyl-4-[3,4,6-trimethyl-5-(3,4,5,6-tetramethyloxan-2-yl)oxyoxan-2-yl]oxyoxane?
The canonical SMILES for 2-methoxy-3,5,6-trimethyl-4-[3,4,6-trimethyl-5-(3,4,5,6-tetramethyloxan-2-yl)oxyoxan-2-yl]oxyoxane is COC1OC(C)C(C)C(OC2OC(C)C(OC3OC(C)C(C)C(C)C3C)C(C)C2C)C1C.
What is the InChIKey of 2-methoxy-3,5,6-trimethyl-4-[3,4,6-trimethyl-5-(3,4,5,6-tetramethyloxan-2-yl)oxyoxan-2-yl]oxyoxane?
The InChIKey is ICVHARBDUAZSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48O6/c1-12-13(2)19(8)29-25(15(12)4)32-23-14(3)16(5)26(30-21(23)10)31-22-17(6)20(9)28-24(27-11)18(22)7/h12-26H,1-11H3.
What are the key properties of 2-methoxy-3,5,6-trimethyl-4-[3,4,6-trimethyl-5-(3,4,5,6-tetramethyloxan-2-yl)oxyoxan-2-yl]oxyoxane?
2-methoxy-3,5,6-trimethyl-4-[3,4,6-trimethyl-5-(3,4,5,6-tetramethyloxan-2-yl)oxyoxan-2-yl]oxyoxane has a molecular weight of 456.66 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,5,6-trimethyl-4-[3,4,6-trimethyl-5-(3,4,5,6-tetramethyloxan-2-yl)oxyoxan-2-yl]oxyoxane is sourced from PubChem (CID 20577429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).