2-ethyl-6-(2-ethyl-5-methoxy-4-methyloxolan-3-yl)oxy-3,4,5-trimethyloxane

C18H34O4 — CID 20740672

IUPAC2-ethyl-6-(2-ethyl-5-methoxy-4-methyloxolan-3-yl)oxy-3,4,5-trimethyloxane
SMILESCCC1OC(OC2C(CC)OC(OC)C2C)C(C)C(C)C1C
InChIInChI=1S/C18H34O4/c1-8-14-11(4)10(3)12(5)18(20-14)22-16-13(6)17(19-7)21-15(16)9-2/h10-18H,8-9H2,1-7H3
InChIKeySSIKJOOHDFTBAO-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.83
Rot. Bonds5

About 2-ethyl-6-(2-ethyl-5-methoxy-4-methyloxolan-3-yl)oxy-3,4,5-trimethyloxane

2-ethyl-6-(2-ethyl-5-methoxy-4-methyloxolan-3-yl)oxy-3,4,5-trimethyloxane (PubChem CID 20740672) has the molecular formula C18H34O4 and a molecular weight of 314.47 g/mol. Its IUPAC name is 2-ethyl-6-(2-ethyl-5-methoxy-4-methyloxolan-3-yl)oxy-3,4,5-trimethyloxane.

Molecular Properties

Compound Name2-ethyl-6-(2-ethyl-5-methoxy-4-methyloxolan-3-yl)oxy-3,4,5-trimethyloxane
PubChem CID20740672
Molecular FormulaC18H34O4
Molecular Weight314.47 g/mol
Exact Mass314.25
IUPAC Name2-ethyl-6-(2-ethyl-5-methoxy-4-methyloxolan-3-yl)oxy-3,4,5-trimethyloxane
SMILESCCC1OC(OC2C(CC)OC(OC)C2C)C(C)C(C)C1C
InChIInChI=1S/C18H34O4/c1-8-14-11(4)10(3)12(5)18(20-14)22-16-13(6)17(19-7)21-15(16)9-2/h10-18H,8-9H2,1-7H3
InChIKeySSIKJOOHDFTBAO-UHFFFAOYSA-N
XLogP3.83
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl-4,6-dideoxy-2,3-O-isopropylidene-4-methylpyranoside
CID 194716
Methyl-6-deoxy-2,3-isopropylidene-4-methylene lyxo-pyranoside
CID 194715
1,3,5,7,7-Hexaethoxy-2,4,6-trimethylheptane
CID 129810513
(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,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-octyldecoxy)oxane-3,4,5-triol
CID 126476615
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S)-2-octyldodecoxy]oxane-3,4,5-triol
CID 164946640
2-[(2S,4S,5R,6S)-4,5-dimethoxy-2,6-dimethylnon-7-ynoxy]oxane
CID 11266964
(3R,4S,5S,6R)-3-[(2S,4R,5R)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-1,4,6-trimethyl-2,8,9-trioxabicyclo[3.3.1]nonane
CID 134878770
(2R,8S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-[(5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]nonan-5-ol
CID 134878902

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(2-ethyl-5-methoxy-4-methyloxolan-3-yl)oxy-3,4,5-trimethyloxane?
The IUPAC name of 2-ethyl-6-(2-ethyl-5-methoxy-4-methyloxolan-3-yl)oxy-3,4,5-trimethyloxane (CID 20740672) is 2-ethyl-6-(2-ethyl-5-methoxy-4-methyloxolan-3-yl)oxy-3,4,5-trimethyloxane.
What is the SMILES notation for 2-ethyl-6-(2-ethyl-5-methoxy-4-methyloxolan-3-yl)oxy-3,4,5-trimethyloxane?
The canonical SMILES for 2-ethyl-6-(2-ethyl-5-methoxy-4-methyloxolan-3-yl)oxy-3,4,5-trimethyloxane is CCC1OC(OC2C(CC)OC(OC)C2C)C(C)C(C)C1C.
What is the InChIKey of 2-ethyl-6-(2-ethyl-5-methoxy-4-methyloxolan-3-yl)oxy-3,4,5-trimethyloxane?
The InChIKey is SSIKJOOHDFTBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O4/c1-8-14-11(4)10(3)12(5)18(20-14)22-16-13(6)17(19-7)21-15(16)9-2/h10-18H,8-9H2,1-7H3.
What are the key properties of 2-ethyl-6-(2-ethyl-5-methoxy-4-methyloxolan-3-yl)oxy-3,4,5-trimethyloxane?
2-ethyl-6-(2-ethyl-5-methoxy-4-methyloxolan-3-yl)oxy-3,4,5-trimethyloxane has a molecular weight of 314.47 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2-ethyl-5-methoxy-4-methyloxolan-3-yl)oxy-3,4,5-trimethyloxane is sourced from PubChem (CID 20740672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).