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

C20H18O6 — CID 126723579

IUPAC[(2R,3R,5R)-5-benzoyloxy-2-ethyl-4-oxooxolan-3-yl] benzoate
SMILESCC[C@H]1O[C@H](OC(=O)c2ccccc2)C(=O)[C@@H]1OC(=O)c1ccccc1
InChIInChI=1S/C20H18O6/c1-2-15-17(25-18(22)13-9-5-3-6-10-13)16(21)20(24-15)26-19(23)14-11-7-4-8-12-14/h3-12,15,17,20H,2H2,1H3/t15-,17-,20-/m1/s1
InChIKeyGIKKRBWVPGIKQV-WRWLIDTKSA-N
MW354.36 g/mol
LogP2.77
Rot. Bonds5

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

[(2R,3R,5R)-5-benzoyloxy-2-ethyl-4-oxooxolan-3-yl] benzoate (PubChem CID 126723579) has the molecular formula C20H18O6 and a molecular weight of 354.36 g/mol. Its IUPAC name is [(2R,3R,5R)-5-benzoyloxy-2-ethyl-4-oxooxolan-3-yl] benzoate.

Molecular Properties

Compound Name[(2R,3R,5R)-5-benzoyloxy-2-ethyl-4-oxooxolan-3-yl] benzoate
PubChem CID126723579
Molecular FormulaC20H18O6
Molecular Weight354.36 g/mol
Exact Mass354.11
IUPAC Name[(2R,3R,5R)-5-benzoyloxy-2-ethyl-4-oxooxolan-3-yl] benzoate
SMILESCC[C@H]1O[C@H](OC(=O)c2ccccc2)C(=O)[C@@H]1OC(=O)c1ccccc1
InChIInChI=1S/C20H18O6/c1-2-15-17(25-18(22)13-9-5-3-6-10-13)16(21)20(24-15)26-19(23)14-11-7-4-8-12-14/h3-12,15,17,20H,2H2,1H3/t15-,17-,20-/m1/s1
InChIKeyGIKKRBWVPGIKQV-WRWLIDTKSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R,3S,5S)-5-benzoyloxy-2-ethyl-4-oxooxolan-3-yl] benzoate
CID 126628273
[(2R,3S,5R)-3,5-dibenzoyloxy-4-oxooxolan-2-yl]methyl benzoate
CID 126970148
[(2R,5S)-3,5-dibenzoyloxy-4-oxooxolan-2-yl]methyl benzoate
CID 58696778
[(2R,3R,5R)-3,5-dibenzoyloxy-4-oxooxolan-2-yl]methyl benzoate
CID 10072943
[(2R,3R,4R)-5-acetyloxy-4-benzoyloxy-2-ethyloxolan-3-yl] benzoate
CID 170041809
[(2S,4S,5S)-2-benzoyloxy-6-ethyl-4,5-dimethyloxan-3-yl] benzoate
CID 121355233
[(2R,4S)-5-acetyloxy-4-benzoyloxy-2-ethyloxolan-3-yl] benzoate
CID 159107500
[(2R,3R,4S,5R)-5-benzoyloxy-2-ethyl-4-fluorooxolan-3-yl] benzoate
CID 170213383
[(2S,3S,4R,5S)-5-benzoyloxy-2-ethyl-4-fluorooxolan-3-yl] benzoate
CID 58741926
(5-bromo-2-ethyl-4-fluorooxolan-3-yl) benzoate
CID 20747746
[(2R,3R,5S)-5-bromo-2-ethyl-4-fluorooxolan-3-yl] benzoate
CID 89374199
[(3S,4S,5R)-5-ethyl-3-(hydroxymethyl)-3,4-dimethyloxolan-2-yl] benzoate
CID 160965809

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5R)-5-benzoyloxy-2-ethyl-4-oxooxolan-3-yl] benzoate?
The IUPAC name of [(2R,3R,5R)-5-benzoyloxy-2-ethyl-4-oxooxolan-3-yl] benzoate (CID 126723579) is [(2R,3R,5R)-5-benzoyloxy-2-ethyl-4-oxooxolan-3-yl] benzoate.
What is the SMILES notation for [(2R,3R,5R)-5-benzoyloxy-2-ethyl-4-oxooxolan-3-yl] benzoate?
The canonical SMILES for [(2R,3R,5R)-5-benzoyloxy-2-ethyl-4-oxooxolan-3-yl] benzoate is CC[C@H]1O[C@H](OC(=O)c2ccccc2)C(=O)[C@@H]1OC(=O)c1ccccc1.
What is the InChIKey of [(2R,3R,5R)-5-benzoyloxy-2-ethyl-4-oxooxolan-3-yl] benzoate?
The InChIKey is GIKKRBWVPGIKQV-WRWLIDTKSA-N. The full InChI is InChI=1S/C20H18O6/c1-2-15-17(25-18(22)13-9-5-3-6-10-13)16(21)20(24-15)26-19(23)14-11-7-4-8-12-14/h3-12,15,17,20H,2H2,1H3/t15-,17-,20-/m1/s1.
What are the key properties of [(2R,3R,5R)-5-benzoyloxy-2-ethyl-4-oxooxolan-3-yl] benzoate?
[(2R,3R,5R)-5-benzoyloxy-2-ethyl-4-oxooxolan-3-yl] benzoate has a molecular weight of 354.36 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,5R)-5-benzoyloxy-2-ethyl-4-oxooxolan-3-yl] benzoate is sourced from PubChem (CID 126723579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).