(3-acetyloxy-2-phenylmethoxyoxan-4-yl) acetate

C16H20O6 — CID 23271774

IUPAC(3-acetyloxy-2-phenylmethoxyoxan-4-yl) acetate
SMILESCC(=O)OC1CCOC(OCc2ccccc2)C1OC(C)=O
InChIInChI=1S/C16H20O6/c1-11(17)21-14-8-9-19-16(15(14)22-12(2)18)20-10-13-6-4-3-5-7-13/h3-7,14-16H,8-10H2,1-2H3
InChIKeyPZCCHBKLPBYLRJ-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.81
Rot. Bonds5

About (3-acetyloxy-2-phenylmethoxyoxan-4-yl) acetate

(3-acetyloxy-2-phenylmethoxyoxan-4-yl) acetate (PubChem CID 23271774) has the molecular formula C16H20O6 and a molecular weight of 308.33 g/mol. Its IUPAC name is (3-acetyloxy-2-phenylmethoxyoxan-4-yl) acetate.

Molecular Properties

Compound Name(3-acetyloxy-2-phenylmethoxyoxan-4-yl) acetate
PubChem CID23271774
Molecular FormulaC16H20O6
Molecular Weight308.33 g/mol
Exact Mass308.13
IUPAC Name(3-acetyloxy-2-phenylmethoxyoxan-4-yl) acetate
SMILESCC(=O)OC1CCOC(OCc2ccccc2)C1OC(C)=O
InChIInChI=1S/C16H20O6/c1-11(17)21-14-8-9-19-16(15(14)22-12(2)18)20-10-13-6-4-3-5-7-13/h3-7,14-16H,8-10H2,1-2H3
InChIKeyPZCCHBKLPBYLRJ-UHFFFAOYSA-N
XLogP1.81
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-3-phenylmethoxyoxolan-2-yl] acetate
CID 134857022
[(2R,3S,4S)-2,3-diacetyloxyoxan-4-yl] acetate
CID 10901352
[(2S,3S,4R,5R,6R)-4,5-diacetyloxy-2-methyl-6-phenylmethoxyoxan-3-yl] acetate
CID 2747755
[3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate
CID 73019389
[(2R,3S,5R,6S)-2,6-dihydroxy-3,4,5-tris(phenylmethoxy)cyclohexyl] acetate
CID 100921480
[(1S,2R,3R,4S,5R,6S)-3-hydroxy-2,4,5,6-tetrakis(phenylmethoxy)cyclohexyl] acetate
CID 10674783
[(2S,3S,5R,6S)-2,6-dihydroxy-3,4,5-tris(phenylmethoxy)cyclohexyl] acetate
CID 100921481
[(3S,4S,5R,6R)-4,5-diacetyloxy-6-(2-phenylmethoxyethoxy)oxan-3-yl] acetate
CID 10960569
[(2R,3S,4R,5R,6R)-2,6-diacetyloxy-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
CID 11754556
[(2S,3R,4S,6R)-2-methoxy-6-methyl-4-phenylmethoxyoxan-3-yl] acetate
CID 101175724
[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl] acetate
CID 67926222
[3-acetyloxy-2-[4,5-diacetyloxy-6-(4,5,6-triacetyloxyoxan-3-yl)oxyoxan-3-yl]oxy-5-phenylmethoxyoxan-4-yl] acetate
CID 162876511

Frequently Asked Questions

What is the IUPAC name of (3-acetyloxy-2-phenylmethoxyoxan-4-yl) acetate?
The IUPAC name of (3-acetyloxy-2-phenylmethoxyoxan-4-yl) acetate (CID 23271774) is (3-acetyloxy-2-phenylmethoxyoxan-4-yl) acetate.
What is the SMILES notation for (3-acetyloxy-2-phenylmethoxyoxan-4-yl) acetate?
The canonical SMILES for (3-acetyloxy-2-phenylmethoxyoxan-4-yl) acetate is CC(=O)OC1CCOC(OCc2ccccc2)C1OC(C)=O.
What is the InChIKey of (3-acetyloxy-2-phenylmethoxyoxan-4-yl) acetate?
The InChIKey is PZCCHBKLPBYLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O6/c1-11(17)21-14-8-9-19-16(15(14)22-12(2)18)20-10-13-6-4-3-5-7-13/h3-7,14-16H,8-10H2,1-2H3.
What are the key properties of (3-acetyloxy-2-phenylmethoxyoxan-4-yl) acetate?
(3-acetyloxy-2-phenylmethoxyoxan-4-yl) acetate has a molecular weight of 308.33 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetyloxy-2-phenylmethoxyoxan-4-yl) acetate is sourced from PubChem (CID 23271774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).