[(2R)-3-benzoyloxy-4-methyl-5-oxooxolan-2-yl]methyl benzoate

C20H18O6 — CID 89490373

IUPAC[(2R)-3-benzoyloxy-4-methyl-5-oxooxolan-2-yl]methyl benzoate
SMILESCC1C(=O)O[C@H](COC(=O)c2ccccc2)C1OC(=O)c1ccccc1
InChIInChI=1S/C20H18O6/c1-13-17(26-20(23)15-10-6-3-7-11-15)16(25-18(13)21)12-24-19(22)14-8-4-2-5-9-14/h2-11,13,16-17H,12H2,1H3/t13?,16-,17?/m1/s1
InChIKeyHTYUOMJTPIBMOR-BLDCVEFLSA-N
MW354.36 g/mol
LogP2.63
Rot. Bonds5

About [(2R)-3-benzoyloxy-4-methyl-5-oxooxolan-2-yl]methyl benzoate

[(2R)-3-benzoyloxy-4-methyl-5-oxooxolan-2-yl]methyl benzoate (PubChem CID 89490373) has the molecular formula C20H18O6 and a molecular weight of 354.36 g/mol. Its IUPAC name is [(2R)-3-benzoyloxy-4-methyl-5-oxooxolan-2-yl]methyl benzoate.

Molecular Properties

Compound Name[(2R)-3-benzoyloxy-4-methyl-5-oxooxolan-2-yl]methyl benzoate
PubChem CID89490373
Molecular FormulaC20H18O6
Molecular Weight354.36 g/mol
Exact Mass354.11
IUPAC Name[(2R)-3-benzoyloxy-4-methyl-5-oxooxolan-2-yl]methyl benzoate
SMILESCC1C(=O)O[C@H](COC(=O)c2ccccc2)C1OC(=O)c1ccccc1
InChIInChI=1S/C20H18O6/c1-13-17(26-20(23)15-10-6-3-7-11-15)16(25-18(13)21)12-24-19(22)14-8-4-2-5-9-14/h2-11,13,16-17H,12H2,1H3/t13?,16-,17?/m1/s1
InChIKeyHTYUOMJTPIBMOR-BLDCVEFLSA-N
XLogP2.63
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

(3,6-dibenzoyloxy-4,5-dimethyloxan-2-yl)methyl benzoate
CID 160727114
[(2R,3R,4R,5S,6R)-4,5-dibenzoyloxy-3-fluoro-6-methyloxan-2-yl]methyl benzoate
CID 163770416
[(2S,3R,4R,5R)-3,4,5-tribenzoyloxyoxolan-2-yl]methyl benzoate
CID 124525731
[(2S,3S,4S,5S)-3,4-dibenzoyloxy-5-hydroxyoxolan-2-yl]methyl benzoate
CID 69423691
(3R,4R,5R)-3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolane-2-carboxylic acid
CID 69165848
[(2R,3R,4S)-3,4-dibenzoyloxy-5-hydroxyoxolan-2-yl]methyl benzoate
CID 54395944
(3,4,5-tribenzoyloxyoxolan-2-yl)methyl benzoate
CID 11979358
[(2R,5R)-5-amino-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate
CID 135073207
[(2R,3R,4R,5S)-3,4-dibenzoyloxy-5-hydroxyoxolan-2-yl]methyl benzoate
CID 69423692
[3-(benzoyloxymethyl)oxiran-2-yl]methyl benzoate
CID 85086924
[(3S,4S,6R)-6-amino-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate
CID 71164685
[(2R,3S,4S,5S,6R)-3,4,5-tribenzoyloxy-6-hydroxyoxan-2-yl]methyl benzoate
CID 95198842

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-benzoyloxy-4-methyl-5-oxooxolan-2-yl]methyl benzoate?
The IUPAC name of [(2R)-3-benzoyloxy-4-methyl-5-oxooxolan-2-yl]methyl benzoate (CID 89490373) is [(2R)-3-benzoyloxy-4-methyl-5-oxooxolan-2-yl]methyl benzoate.
What is the SMILES notation for [(2R)-3-benzoyloxy-4-methyl-5-oxooxolan-2-yl]methyl benzoate?
The canonical SMILES for [(2R)-3-benzoyloxy-4-methyl-5-oxooxolan-2-yl]methyl benzoate is CC1C(=O)O[C@H](COC(=O)c2ccccc2)C1OC(=O)c1ccccc1.
What is the InChIKey of [(2R)-3-benzoyloxy-4-methyl-5-oxooxolan-2-yl]methyl benzoate?
The InChIKey is HTYUOMJTPIBMOR-BLDCVEFLSA-N. The full InChI is InChI=1S/C20H18O6/c1-13-17(26-20(23)15-10-6-3-7-11-15)16(25-18(13)21)12-24-19(22)14-8-4-2-5-9-14/h2-11,13,16-17H,12H2,1H3/t13?,16-,17?/m1/s1.
What are the key properties of [(2R)-3-benzoyloxy-4-methyl-5-oxooxolan-2-yl]methyl benzoate?
[(2R)-3-benzoyloxy-4-methyl-5-oxooxolan-2-yl]methyl benzoate has a molecular weight of 354.36 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-benzoyloxy-4-methyl-5-oxooxolan-2-yl]methyl benzoate is sourced from PubChem (CID 89490373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).