[3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate

C28H30O6 — CID 73019389

IUPAC[3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate
SMILESCC(=O)OC1OCC(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C28H30O6/c1-21(29)34-28-27(32-19-24-15-9-4-10-16-24)26(31-18-23-13-7-3-8-14-23)25(20-33-28)30-17-22-11-5-2-6-12-22/h2-16,25-28H,17-20H2,1H3
InChIKeyAIEXKIOQRBMIJY-UHFFFAOYSA-N
MW462.54 g/mol
LogP4.66
Rot. Bonds10

About [3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate

[3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate (PubChem CID 73019389) has the molecular formula C28H30O6 and a molecular weight of 462.54 g/mol. Its IUPAC name is [3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate.

Molecular Properties

Compound Name[3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate
PubChem CID73019389
Molecular FormulaC28H30O6
Molecular Weight462.54 g/mol
Exact Mass462.20
IUPAC Name[3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate
SMILESCC(=O)OC1OCC(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C28H30O6/c1-21(29)34-28-27(32-19-24-15-9-4-10-16-24)26(31-18-23-13-7-3-8-14-23)25(20-33-28)30-17-22-11-5-2-6-12-22/h2-16,25-28H,17-20H2,1H3
InChIKeyAIEXKIOQRBMIJY-UHFFFAOYSA-N
XLogP4.66
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.54
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-acetyloxy-2-[4,5-diacetyloxy-6-(4,5,6-triacetyloxyoxan-3-yl)oxyoxan-3-yl]oxy-5-phenylmethoxyoxan-4-yl] acetate
CID 162876511
[(3R)-3-phenylmethoxyoxolan-2-yl] acetate
CID 134857022
[(2R,3S,4R,5S,6R)-4,5,6-tris(phenylmethoxy)-2-phenylsulfanyloxepan-3-yl] acetate
CID 11570600
[(2R,3S,4R,5R,6R)-2,6-diacetyloxy-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
CID 11754556
[(2R,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl] acetate
CID 91180261
[(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl] acetate
CID 11081066
[3,5-bis(phenylmethoxy)-2-[4,5,6-tris(phenylmethoxy)oxan-3-yl]oxyoxan-4-yl] benzoate
CID 163035565
[(2R,3R,4R,5S)-5-acetyloxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl acetate
CID 134882849
[(3S,4S,5R,6R)-4,5-diacetyloxy-6-(2-phenylmethoxyethoxy)oxan-3-yl] acetate
CID 10960569
[(2R,3S,4S,5R,6R)-6-acetyloxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate
CID 12900869
[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate
CID 155351672
[(3R,5R,6R)-6-methyl-3,5-bis(phenylmethoxy)oxan-2-yl] acetate
CID 11132398

Frequently Asked Questions

What is the IUPAC name of [3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate?
The IUPAC name of [3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate (CID 73019389) is [3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate.
What is the SMILES notation for [3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate?
The canonical SMILES for [3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate is CC(=O)OC1OCC(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of [3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate?
The InChIKey is AIEXKIOQRBMIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30O6/c1-21(29)34-28-27(32-19-24-15-9-4-10-16-24)26(31-18-23-13-7-3-8-14-23)25(20-33-28)30-17-22-11-5-2-6-12-22/h2-16,25-28H,17-20H2,1H3.
What are the key properties of [3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate?
[3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate has a molecular weight of 462.54 g/mol, XLogP of 4.66, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate is sourced from PubChem (CID 73019389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).