2-ethyl-5-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-6-methoxy-3,4-dimethyloxane

C20H38O4 — CID 20708700

IUPAC2-ethyl-5-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-6-methoxy-3,4-dimethyloxane
SMILESCCC1OC(OC2C(OC)OC(CC)C(C)C2C)C(C)C(C)C1C
InChIInChI=1S/C20H38O4/c1-9-16-12(4)11(3)15(7)19(22-16)24-18-14(6)13(5)17(10-2)23-20(18)21-8/h11-20H,9-10H2,1-8H3
InChIKeyLZKOQFLZILLOQJ-UHFFFAOYSA-N
MW342.52 g/mol
LogP4.47
Rot. Bonds5

About 2-ethyl-5-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-6-methoxy-3,4-dimethyloxane

2-ethyl-5-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-6-methoxy-3,4-dimethyloxane (PubChem CID 20708700) has the molecular formula C20H38O4 and a molecular weight of 342.52 g/mol. Its IUPAC name is 2-ethyl-5-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-6-methoxy-3,4-dimethyloxane.

Molecular Properties

Compound Name2-ethyl-5-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-6-methoxy-3,4-dimethyloxane
PubChem CID20708700
Molecular FormulaC20H38O4
Molecular Weight342.52 g/mol
Exact Mass342.28
IUPAC Name2-ethyl-5-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-6-methoxy-3,4-dimethyloxane
SMILESCCC1OC(OC2C(OC)OC(CC)C(C)C2C)C(C)C(C)C1C
InChIInChI=1S/C20H38O4/c1-9-16-12(4)11(3)15(7)19(22-16)24-18-14(6)13(5)17(10-2)23-20(18)21-8/h11-20H,9-10H2,1-8H3
InChIKeyLZKOQFLZILLOQJ-UHFFFAOYSA-N
XLogP4.47
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.52
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(3,7,11-trimethyldodecoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 137639178
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(3,7,11-trimethyldodecoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 137659280
CID 139588454
CID 139588454
(2S,3S,6R,11R)-3,11-dimethyl-2-(oxan-2-yloxymethyl)-1,7-dioxaspiro[5.5]undecane
CID 12041355
(2S,3S,6R,11R)-2-(methoxymethoxymethyl)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecane
CID 44303223
(3S,6R)-2-ethyl-6-methoxy-3,4,5-trimethyloxane
CID 60011074
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-(3-hydroxy-6-methylheptoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 75411967
(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
(3S,4S,6R)-2-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-fluoro-3,4-dimethyloxane
CID 157064255
[(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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-6-methoxy-3,4-dimethyloxane?
The IUPAC name of 2-ethyl-5-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-6-methoxy-3,4-dimethyloxane (CID 20708700) is 2-ethyl-5-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-6-methoxy-3,4-dimethyloxane.
What is the SMILES notation for 2-ethyl-5-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-6-methoxy-3,4-dimethyloxane?
The canonical SMILES for 2-ethyl-5-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-6-methoxy-3,4-dimethyloxane is CCC1OC(OC2C(OC)OC(CC)C(C)C2C)C(C)C(C)C1C.
What is the InChIKey of 2-ethyl-5-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-6-methoxy-3,4-dimethyloxane?
The InChIKey is LZKOQFLZILLOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O4/c1-9-16-12(4)11(3)15(7)19(22-16)24-18-14(6)13(5)17(10-2)23-20(18)21-8/h11-20H,9-10H2,1-8H3.
What are the key properties of 2-ethyl-5-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-6-methoxy-3,4-dimethyloxane?
2-ethyl-5-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-6-methoxy-3,4-dimethyloxane has a molecular weight of 342.52 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-6-methoxy-3,4-dimethyloxane is sourced from PubChem (CID 20708700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).