[(2R,3S)-5-methoxy-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate

C22H24O6 — CID 11090291

IUPAC[(2R,3S)-5-methoxy-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate
SMILESCOC1C[C@H](OC(=O)c2ccc(C)cc2)[C@@H](COC(=O)c2ccc(C)cc2)O1
InChIInChI=1S/C22H24O6/c1-14-4-8-16(9-5-14)21(23)26-13-19-18(12-20(25-3)27-19)28-22(24)17-10-6-15(2)7-11-17/h4-11,18-20H,12-13H2,1-3H3/t18-,19+,20?/m0/s1
InChIKeyMTMWQYDEGWXCTH-ABZYKWASSA-N
MW384.43 g/mol
LogP3.45
Rot. Bonds6

About [(2R,3S)-5-methoxy-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate

[(2R,3S)-5-methoxy-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate (PubChem CID 11090291) has the molecular formula C22H24O6 and a molecular weight of 384.43 g/mol. Its IUPAC name is [(2R,3S)-5-methoxy-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate.

Molecular Properties

Compound Name[(2R,3S)-5-methoxy-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate
PubChem CID11090291
Molecular FormulaC22H24O6
Molecular Weight384.43 g/mol
Exact Mass384.16
IUPAC Name[(2R,3S)-5-methoxy-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate
SMILESCOC1C[C@H](OC(=O)c2ccc(C)cc2)[C@@H](COC(=O)c2ccc(C)cc2)O1
InChIInChI=1S/C22H24O6/c1-14-4-8-16(9-5-14)21(23)26-13-19-18(12-20(25-3)27-19)28-22(24)17-10-6-15(2)7-11-17/h4-11,18-20H,12-13H2,1-3H3/t18-,19+,20?/m0/s1
InChIKeyMTMWQYDEGWXCTH-ABZYKWASSA-N
XLogP3.45
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-5-methoxy-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate?
The IUPAC name of [(2R,3S)-5-methoxy-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate (CID 11090291) is [(2R,3S)-5-methoxy-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate.
What is the SMILES notation for [(2R,3S)-5-methoxy-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate?
The canonical SMILES for [(2R,3S)-5-methoxy-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate is COC1C[C@H](OC(=O)c2ccc(C)cc2)[C@@H](COC(=O)c2ccc(C)cc2)O1.
What is the InChIKey of [(2R,3S)-5-methoxy-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate?
The InChIKey is MTMWQYDEGWXCTH-ABZYKWASSA-N. The full InChI is InChI=1S/C22H24O6/c1-14-4-8-16(9-5-14)21(23)26-13-19-18(12-20(25-3)27-19)28-22(24)17-10-6-15(2)7-11-17/h4-11,18-20H,12-13H2,1-3H3/t18-,19+,20?/m0/s1.
What are the key properties of [(2R,3S)-5-methoxy-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate?
[(2R,3S)-5-methoxy-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate has a molecular weight of 384.43 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-5-methoxy-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate is sourced from PubChem (CID 11090291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).