[(2R,3S,5S)-2-(benzoyloxymethyl)-5-methyloxolan-3-yl] 3,4-dimethylbenzoate

C22H24O5 — CID 70667366

IUPAC[(2R,3S,5S)-2-(benzoyloxymethyl)-5-methyloxolan-3-yl] 3,4-dimethylbenzoate
SMILESCc1ccc(C(=O)O[C@H]2C[C@H](C)O[C@@H]2COC(=O)c2ccccc2)cc1C
InChIInChI=1S/C22H24O5/c1-14-9-10-18(11-15(14)2)22(24)27-19-12-16(3)26-20(19)13-25-21(23)17-7-5-4-6-8-17/h4-11,16,19-20H,12-13H2,1-3H3/t16-,19-,20+/m0/s1
InChIKeyAKUFQGKMLRYYSA-FFZOFVMBSA-N
MW368.43 g/mol
LogP3.86
Rot. Bonds5

About [(2R,3S,5S)-2-(benzoyloxymethyl)-5-methyloxolan-3-yl] 3,4-dimethylbenzoate

[(2R,3S,5S)-2-(benzoyloxymethyl)-5-methyloxolan-3-yl] 3,4-dimethylbenzoate (PubChem CID 70667366) has the molecular formula C22H24O5 and a molecular weight of 368.43 g/mol. Its IUPAC name is [(2R,3S,5S)-2-(benzoyloxymethyl)-5-methyloxolan-3-yl] 3,4-dimethylbenzoate.

Molecular Properties

Compound Name[(2R,3S,5S)-2-(benzoyloxymethyl)-5-methyloxolan-3-yl] 3,4-dimethylbenzoate
PubChem CID70667366
Molecular FormulaC22H24O5
Molecular Weight368.43 g/mol
Exact Mass368.16
IUPAC Name[(2R,3S,5S)-2-(benzoyloxymethyl)-5-methyloxolan-3-yl] 3,4-dimethylbenzoate
SMILESCc1ccc(C(=O)O[C@H]2C[C@H](C)O[C@@H]2COC(=O)c2ccccc2)cc1C
InChIInChI=1S/C22H24O5/c1-14-9-10-18(11-15(14)2)22(24)27-19-12-16(3)26-20(19)13-25-21(23)17-7-5-4-6-8-17/h4-11,16,19-20H,12-13H2,1-3H3/t16-,19-,20+/m0/s1
InChIKeyAKUFQGKMLRYYSA-FFZOFVMBSA-N
XLogP3.86
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,3R)-5-acetyloxy-3-benzoyloxyoxolan-2-yl]methyl benzoate
CID 71776144
[(2R,3S,5S)-3-benzoyloxy-5-cyanooxolan-2-yl]methyl benzoate
CID 11100232
[(2R,5R)-3-benzoyloxy-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]methyl benzoate
CID 70918304
[(2R,3S)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate
CID 12907234
[(3R,5S)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate
CID 142409120
[(2R,3R,5R)-5-(3-benzoyl-5-methyl-2,4-dioxopyrimidin-1-yl)-3-benzoyloxyoxolan-2-yl]methyl benzoate
CID 11432871
[(2R,3S,5R)-5-methyl-2-[(4-methylphenyl)methoxymethyl]oxolan-3-yl] 4-methylbenzoate
CID 170585176
[(2R,3R)-3-benzoyloxy-5-isocyanatooxolan-2-yl]methyl benzoate
CID 160624467
[(2S,3R)-5-methoxy-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate
CID 10992623
[(2S,3R,5R)-2-[(Z)-hex-3-enyl]-5-methyloxolan-3-yl] benzoate
CID 90364561
[(3S,4S,6R)-3-benzoyloxy-2,6-dimethyloxan-4-yl] benzoate
CID 21307881
[(2R,3S,4R)-3,4-dibenzoyloxy-6-chlorooxan-2-yl]methyl benzoate
CID 102523716

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5S)-2-(benzoyloxymethyl)-5-methyloxolan-3-yl] 3,4-dimethylbenzoate?
The IUPAC name of [(2R,3S,5S)-2-(benzoyloxymethyl)-5-methyloxolan-3-yl] 3,4-dimethylbenzoate (CID 70667366) is [(2R,3S,5S)-2-(benzoyloxymethyl)-5-methyloxolan-3-yl] 3,4-dimethylbenzoate.
What is the SMILES notation for [(2R,3S,5S)-2-(benzoyloxymethyl)-5-methyloxolan-3-yl] 3,4-dimethylbenzoate?
The canonical SMILES for [(2R,3S,5S)-2-(benzoyloxymethyl)-5-methyloxolan-3-yl] 3,4-dimethylbenzoate is Cc1ccc(C(=O)O[C@H]2C[C@H](C)O[C@@H]2COC(=O)c2ccccc2)cc1C.
What is the InChIKey of [(2R,3S,5S)-2-(benzoyloxymethyl)-5-methyloxolan-3-yl] 3,4-dimethylbenzoate?
The InChIKey is AKUFQGKMLRYYSA-FFZOFVMBSA-N. The full InChI is InChI=1S/C22H24O5/c1-14-9-10-18(11-15(14)2)22(24)27-19-12-16(3)26-20(19)13-25-21(23)17-7-5-4-6-8-17/h4-11,16,19-20H,12-13H2,1-3H3/t16-,19-,20+/m0/s1.
What are the key properties of [(2R,3S,5S)-2-(benzoyloxymethyl)-5-methyloxolan-3-yl] 3,4-dimethylbenzoate?
[(2R,3S,5S)-2-(benzoyloxymethyl)-5-methyloxolan-3-yl] 3,4-dimethylbenzoate has a molecular weight of 368.43 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5S)-2-(benzoyloxymethyl)-5-methyloxolan-3-yl] 3,4-dimethylbenzoate is sourced from PubChem (CID 70667366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).