2-[3-[5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-2-ethyloxan-4-yl]oxy-5-methyl-3-phenylmethoxy-6-(phenylmethoxymethyl)-4-[3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane

C65H84O12 — CID 89308561

IUPAC2-[3-[5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-2-ethyloxan-4-yl]oxy-5-methyl-3-phenylmethoxy-6-(phenylmethoxymethyl)-4-[3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
SMILESCCC1OCCC(OC2OC(COCc3ccccc3)C(C)C(OC3OC(COCc4ccccc4)C(C)C(C)C3C)C2OCc2ccccc2)C1OC1OC(C)C(C)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C65H84O12/c1-8-54-60(77-64-61(70-39-52-30-20-12-21-31-52)58(46(5)48(7)72-64)69-38-51-28-18-11-19-29-51)55(34-35-68-54)73-65-62(71-40-53-32-22-13-23-33-53)59(47(6)57(75-65)42-67-37-50-26-16-10-17-27-50)76-63-45(4)43(2)44(3)56(74-63)41-66-36-49-24-14-9-15-25-49/h9-33,43-48,54-65H,8,34-42H2,1-7H3
InChIKeyNQYCNWHUCYYGEA-UHFFFAOYSA-N
MW1057.37 g/mol
LogP11.91
Rot. Bonds24

About 2-[3-[5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-2-ethyloxan-4-yl]oxy-5-methyl-3-phenylmethoxy-6-(phenylmethoxymethyl)-4-[3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane

2-[3-[5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-2-ethyloxan-4-yl]oxy-5-methyl-3-phenylmethoxy-6-(phenylmethoxymethyl)-4-[3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane (PubChem CID 89308561) has the molecular formula C65H84O12 and a molecular weight of 1057.37 g/mol. Its IUPAC name is 2-[3-[5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-2-ethyloxan-4-yl]oxy-5-methyl-3-phenylmethoxy-6-(phenylmethoxymethyl)-4-[3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane.

Molecular Properties

Compound Name2-[3-[5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-2-ethyloxan-4-yl]oxy-5-methyl-3-phenylmethoxy-6-(phenylmethoxymethyl)-4-[3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
PubChem CID89308561
Molecular FormulaC65H84O12
Molecular Weight1057.37 g/mol
Exact Mass1056.60
IUPAC Name2-[3-[5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-2-ethyloxan-4-yl]oxy-5-methyl-3-phenylmethoxy-6-(phenylmethoxymethyl)-4-[3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
SMILESCCC1OCCC(OC2OC(COCc3ccccc3)C(C)C(OC3OC(COCc4ccccc4)C(C)C(C)C3C)C2OCc2ccccc2)C1OC1OC(C)C(C)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C65H84O12/c1-8-54-60(77-64-61(70-39-52-30-20-12-21-31-52)58(46(5)48(7)72-64)69-38-51-28-18-11-19-29-51)55(34-35-68-54)73-65-62(71-40-53-32-22-13-23-33-53)59(47(6)57(75-65)42-67-37-50-26-16-10-17-27-50)76-63-45(4)43(2)44(3)56(74-63)41-66-36-49-24-14-9-15-25-49/h9-33,43-48,54-65H,8,34-42H2,1-7H3
InChIKeyNQYCNWHUCYYGEA-UHFFFAOYSA-N
XLogP11.91
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001057.37
LogP ≤ 511.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[3-[5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-2-ethyloxan-4-yl]oxy-5-methyl-3-phenylmethoxy-6-(phenylmethoxymethyl)-4-[3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane with MolForge

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Related Compounds

[(2S,4R,5R)-2-[(3R,4S,6S)-2-[[(2S,4S,5S)-3-[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-3,4-dimethyloxan-2-yl]oxy-6-ethyl-4,5-dimethyloxan-2-yl]oxymethyl]-6-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate
CID 118551276
(4R,5S)-3,6-dimethyl-5-phenylmethoxy-4-[(2S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-ol;(2S,4R,5S)-2,3,6-trimethyl-5-phenylmethoxy-4-[(2S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane;(4R,5S)-2,3,6-trimethyl-5-phenylmethoxy-4-[(2S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 161176282
N-[(2S,4R,5S)-2-[(3S,6S)-5-acetamido-6-[(3S,4S,6S)-5-acetamido-6-methyl-4-phenylmethoxy-2-[[(2R,5S,6S)-3,4,5,6-tetramethyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-[(2S,5R)-3-acetamido-6-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-phenylmethoxyoxan-2-yl]oxy-6-ethyl-4-methyloxan-3-yl]acetamide
CID 146032752
(2R,3S,4R)-4-phenylmethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-amine
CID 11764105
(2R,3S,5R)-2-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[(2R,3S,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 158301816
2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 71099139
(2R,3S,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 16688925
benzene;3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 171558653
[(2S,4R,5R)-2-[(3R,4S,6S)-2-[[(2S,4S,5S)-3-[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-3,4-dimethyloxan-2-yl]oxy-6-ethyl-4,5-dimethyloxan-2-yl]oxymethyl]-6-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,4R,5R)-2-[(2S,4S,5R)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[[(2S,4S,5S)-6-ethyl-3-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]oxymethyl]-5-methyl-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate;[(2S,4R,5R)-2-[(2R,4S,5R)-2-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-[[(2S,4S,5S)-6-ethyl-3-hydroxy-4,5-dimethyloxan-2-yl]oxymethyl]-5-hydroxy-3-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate
CID 159097447
(3S,4R,5R,6R)-2-methyl-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 167040761
(3S,5S)-3,6-dimethyl-4-[(2S,5S)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-phenylmethoxyoxan-2-ol
CID 59491253
[(2S,4S,5R)-2-[(3S,4R,6R)-4-butoxy-5,6-dimethyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-ethyl-4-methyloxolan-3-yl] acetate
CID 167680469

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-2-ethyloxan-4-yl]oxy-5-methyl-3-phenylmethoxy-6-(phenylmethoxymethyl)-4-[3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane?
The IUPAC name of 2-[3-[5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-2-ethyloxan-4-yl]oxy-5-methyl-3-phenylmethoxy-6-(phenylmethoxymethyl)-4-[3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane (CID 89308561) is 2-[3-[5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-2-ethyloxan-4-yl]oxy-5-methyl-3-phenylmethoxy-6-(phenylmethoxymethyl)-4-[3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane.
What is the SMILES notation for 2-[3-[5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-2-ethyloxan-4-yl]oxy-5-methyl-3-phenylmethoxy-6-(phenylmethoxymethyl)-4-[3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane?
The canonical SMILES for 2-[3-[5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-2-ethyloxan-4-yl]oxy-5-methyl-3-phenylmethoxy-6-(phenylmethoxymethyl)-4-[3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane is CCC1OCCC(OC2OC(COCc3ccccc3)C(C)C(OC3OC(COCc4ccccc4)C(C)C(C)C3C)C2OCc2ccccc2)C1OC1OC(C)C(C)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of 2-[3-[5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-2-ethyloxan-4-yl]oxy-5-methyl-3-phenylmethoxy-6-(phenylmethoxymethyl)-4-[3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane?
The InChIKey is NQYCNWHUCYYGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H84O12/c1-8-54-60(77-64-61(70-39-52-30-20-12-21-31-52)58(46(5)48(7)72-64)69-38-51-28-18-11-19-29-51)55(34-35-68-54)73-65-62(71-40-53-32-22-13-23-33-53)59(47(6)57(75-65)42-67-37-50-26-16-10-17-27-50)76-63-45(4)43(2)44(3)56(74-63)41-66-36-49-24-14-9-15-25-49/h9-33,43-48,54-65H,8,34-42H2,1-7H3.
What are the key properties of 2-[3-[5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-2-ethyloxan-4-yl]oxy-5-methyl-3-phenylmethoxy-6-(phenylmethoxymethyl)-4-[3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane?
2-[3-[5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-2-ethyloxan-4-yl]oxy-5-methyl-3-phenylmethoxy-6-(phenylmethoxymethyl)-4-[3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane has a molecular weight of 1057.37 g/mol, XLogP of 11.91, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-2-ethyloxan-4-yl]oxy-5-methyl-3-phenylmethoxy-6-(phenylmethoxymethyl)-4-[3,4,5-trimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane is sourced from PubChem (CID 89308561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).