2-ethyl-6-[[6-[(2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl)oxy]-3,4,5-trimethyloxan-2-yl]methoxy]-3,4,5-trimethyloxane

C27H48O5 — CID 20708699

IUPAC2-ethyl-6-[[6-[(2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl)oxy]-3,4,5-trimethyloxan-2-yl]methoxy]-3,4,5-trimethyloxane
SMILESCCC1OC(OCC2OC(OC3C(C)C=COC3CC)C(C)C(C)C2C)C(C)C(C)C1C
InChIInChI=1S/C27H48O5/c1-10-22-18(6)16(4)20(8)26(30-22)29-14-24-19(7)17(5)21(9)27(31-24)32-25-15(3)12-13-28-23(25)11-2/h12-13,15-27H,10-11,14H2,1-9H3
InChIKeyYGMDODCCJWGGMZ-UHFFFAOYSA-N
MW452.68 g/mol
LogP6.02
Rot. Bonds7

About 2-ethyl-6-[[6-[(2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl)oxy]-3,4,5-trimethyloxan-2-yl]methoxy]-3,4,5-trimethyloxane

2-ethyl-6-[[6-[(2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl)oxy]-3,4,5-trimethyloxan-2-yl]methoxy]-3,4,5-trimethyloxane (PubChem CID 20708699) has the molecular formula C27H48O5 and a molecular weight of 452.68 g/mol. Its IUPAC name is 2-ethyl-6-[[6-[(2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl)oxy]-3,4,5-trimethyloxan-2-yl]methoxy]-3,4,5-trimethyloxane.

Molecular Properties

Compound Name2-ethyl-6-[[6-[(2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl)oxy]-3,4,5-trimethyloxan-2-yl]methoxy]-3,4,5-trimethyloxane
PubChem CID20708699
Molecular FormulaC27H48O5
Molecular Weight452.68 g/mol
Exact Mass452.35
IUPAC Name2-ethyl-6-[[6-[(2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl)oxy]-3,4,5-trimethyloxan-2-yl]methoxy]-3,4,5-trimethyloxane
SMILESCCC1OC(OCC2OC(OC3C(C)C=COC3CC)C(C)C(C)C2C)C(C)C(C)C1C
InChIInChI=1S/C27H48O5/c1-10-22-18(6)16(4)20(8)26(30-22)29-14-24-19(7)17(5)21(9)27(31-24)32-25-15(3)12-13-28-23(25)11-2/h12-13,15-27H,10-11,14H2,1-9H3
InChIKeyYGMDODCCJWGGMZ-UHFFFAOYSA-N
XLogP6.02
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.68
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-6-[[6-[(2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl)oxy]-3,4,5-trimethyloxan-2-yl]methoxy]-3,4,5-trimethyloxane with MolForge

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Related Compounds

(3R,4S,6R)-2-ethyl-6-[(3R,4R,6S)-2-ethyl-6-[[(3S)-2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl]oxy]-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol
CID 90815424
(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,6S)-2-ethyl-6-[[(3R)-2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl]oxy]-3,5-dihydroxyoxan-4-yl]methylidene-oxotin
CID 59872129
(2S,3S,6S)-2-ethyl-3-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane
CID 90909875
2-ethyl-3-[6-ethyl-5-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-3,4-dimethyloxan-2-yl]oxy-4,5,6-trimethyloxane
CID 22974905
(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2,5-diethyl-3,4-dimethyloxolan-2-yl]oxy-6-ethyl-3,4,5-trimethyloxane;(2R,3R,4S,5S,6S)-2-[(2S,3S,4S,5R)-2,5-diethyl-3,4-dimethyloxolan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxymethyl]-3,4,5-trimethyloxane;(2R,3S,4S,5R,6R)-2-ethyl-6-[(2R,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,4,5-trimethyloxane
CID 160756977
(2R,4S,5R)-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyoxane-2,3,5-triol
CID 126492470
1-[(3R,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-N-methylmethanamine
CID 118460692
(3R,4S,6R)-2-ethyl-4-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(4S,5S)-6-ethyl-2,4,5-trimethyloxan-3-yl]oxy-3,5-dimethyloxane
CID 158555305
(2S,3R,4S,5R,6R)-2-tert-butyl-6-ethyl-3,4-bis[[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy]-5-methyloxane
CID 134169133
(3S,4R)-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxane-3,5-diol
CID 59101140
1-[(3S,4R)-3-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5,6-trimethyloxan-2-yl]ethanone
CID 70990683

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[[6-[(2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl)oxy]-3,4,5-trimethyloxan-2-yl]methoxy]-3,4,5-trimethyloxane?
The IUPAC name of 2-ethyl-6-[[6-[(2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl)oxy]-3,4,5-trimethyloxan-2-yl]methoxy]-3,4,5-trimethyloxane (CID 20708699) is 2-ethyl-6-[[6-[(2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl)oxy]-3,4,5-trimethyloxan-2-yl]methoxy]-3,4,5-trimethyloxane.
What is the SMILES notation for 2-ethyl-6-[[6-[(2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl)oxy]-3,4,5-trimethyloxan-2-yl]methoxy]-3,4,5-trimethyloxane?
The canonical SMILES for 2-ethyl-6-[[6-[(2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl)oxy]-3,4,5-trimethyloxan-2-yl]methoxy]-3,4,5-trimethyloxane is CCC1OC(OCC2OC(OC3C(C)C=COC3CC)C(C)C(C)C2C)C(C)C(C)C1C.
What is the InChIKey of 2-ethyl-6-[[6-[(2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl)oxy]-3,4,5-trimethyloxan-2-yl]methoxy]-3,4,5-trimethyloxane?
The InChIKey is YGMDODCCJWGGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48O5/c1-10-22-18(6)16(4)20(8)26(30-22)29-14-24-19(7)17(5)21(9)27(31-24)32-25-15(3)12-13-28-23(25)11-2/h12-13,15-27H,10-11,14H2,1-9H3.
What are the key properties of 2-ethyl-6-[[6-[(2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl)oxy]-3,4,5-trimethyloxan-2-yl]methoxy]-3,4,5-trimethyloxane?
2-ethyl-6-[[6-[(2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl)oxy]-3,4,5-trimethyloxan-2-yl]methoxy]-3,4,5-trimethyloxane has a molecular weight of 452.68 g/mol, XLogP of 6.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[[6-[(2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl)oxy]-3,4,5-trimethyloxan-2-yl]methoxy]-3,4,5-trimethyloxane is sourced from PubChem (CID 20708699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).