[(2S,4S,5S)-2-benzoyloxy-6-ethyl-4,5-dimethyloxan-3-yl] benzoate

C23H26O5 — CID 121355233

IUPAC[(2S,4S,5S)-2-benzoyloxy-6-ethyl-4,5-dimethyloxan-3-yl] benzoate
SMILESCCC1O[C@@H](OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)[C@@H](C)[C@@H]1C
InChIInChI=1S/C23H26O5/c1-4-19-15(2)16(3)20(27-21(24)17-11-7-5-8-12-17)23(26-19)28-22(25)18-13-9-6-10-14-18/h5-16,19-20,23H,4H2,1-3H3/t15-,16-,19?,20?,23-/m0/s1
InChIKeyUEFMFOLFNDPNNI-NFYDDXRESA-N
MW382.46 g/mol
LogP4.48
Rot. Bonds5

About [(2S,4S,5S)-2-benzoyloxy-6-ethyl-4,5-dimethyloxan-3-yl] benzoate

[(2S,4S,5S)-2-benzoyloxy-6-ethyl-4,5-dimethyloxan-3-yl] benzoate (PubChem CID 121355233) has the molecular formula C23H26O5 and a molecular weight of 382.46 g/mol. Its IUPAC name is [(2S,4S,5S)-2-benzoyloxy-6-ethyl-4,5-dimethyloxan-3-yl] benzoate.

Molecular Properties

Compound Name[(2S,4S,5S)-2-benzoyloxy-6-ethyl-4,5-dimethyloxan-3-yl] benzoate
PubChem CID121355233
Molecular FormulaC23H26O5
Molecular Weight382.46 g/mol
Exact Mass382.18
IUPAC Name[(2S,4S,5S)-2-benzoyloxy-6-ethyl-4,5-dimethyloxan-3-yl] benzoate
SMILESCCC1O[C@@H](OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)[C@@H](C)[C@@H]1C
InChIInChI=1S/C23H26O5/c1-4-19-15(2)16(3)20(27-21(24)17-11-7-5-8-12-17)23(26-19)28-22(25)18-13-9-6-10-14-18/h5-16,19-20,23H,4H2,1-3H3/t15-,16-,19?,20?,23-/m0/s1
InChIKeyUEFMFOLFNDPNNI-NFYDDXRESA-N
XLogP4.48
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S,4S,5S)-2-benzoyloxy-6-ethyl-4,5-dimethyloxan-3-yl] benzoate with MolForge

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Related Compounds

[6-[(3-benzoyloxy-6-ethyl-4,5-dimethyloxan-2-yl)oxymethyl]-2,4,5-trimethyloxan-3-yl] benzoate
CID 67949169
[(2R,3R,4R)-5-acetyloxy-4-benzoyloxy-2-ethyloxolan-3-yl] benzoate
CID 170041809
[(2R,3R,4S,5R)-5-benzoyloxy-2-ethyl-4-fluorooxolan-3-yl] benzoate
CID 170213383
[(2R,4S)-5-acetyloxy-4-benzoyloxy-2-ethyloxolan-3-yl] benzoate
CID 159107500
[(2S,3S,4R,5S)-5-benzoyloxy-2-ethyl-4-fluorooxolan-3-yl] benzoate
CID 58741926
[(2R,3R,4S,5S,6R)-6-ethyl-4,5-dimethyl-2-[[(2R,3R,4S,5R)-3,4,5-tribenzoyloxy-6-(2,2,2-trichloroethanimidoyl)oxyoxan-2-yl]methoxy]oxan-3-yl] benzoate
CID 126705364
(3,6-dibenzoyloxy-4,5-dimethyloxan-2-yl)methyl benzoate
CID 160727114
[(2R,4S,5R)-5-benzoyloxy-2-ethyl-4-(trifluoromethylsulfonyloxy)oxolan-3-yl] benzoate
CID 88548426
[(2R,4S,5R)-2-benzoyloxy-5-ethyl-4-(2-phenylethyl)oxolan-3-yl] benzoate
CID 174151369
[(2S,4S,5S)-6-ethyl-4,5-dimethyl-2-(5-oxo-5-phenylmethoxypentoxy)oxan-3-yl] benzoate
CID 160919622
[(2R,4S,5R)-2-benzoyloxy-4-(dibenzylamino)-5-ethyloxolan-3-yl] benzoate
CID 174151409
[(2R,3R,4S,5R,6R)-3-benzoyloxy-2-[[(2S,3R,4S,5R,6R)-4,5-dibenzoyloxy-6-[[(2S,3R,4S,5R)-4,5-dibenzoyloxy-6-hydroxy-3-methyloxan-2-yl]methoxy]-3-methyloxan-2-yl]methoxy]-6-ethyl-5-methyloxan-4-yl] benzoate
CID 126705406

Frequently Asked Questions

What is the IUPAC name of [(2S,4S,5S)-2-benzoyloxy-6-ethyl-4,5-dimethyloxan-3-yl] benzoate?
The IUPAC name of [(2S,4S,5S)-2-benzoyloxy-6-ethyl-4,5-dimethyloxan-3-yl] benzoate (CID 121355233) is [(2S,4S,5S)-2-benzoyloxy-6-ethyl-4,5-dimethyloxan-3-yl] benzoate.
What is the SMILES notation for [(2S,4S,5S)-2-benzoyloxy-6-ethyl-4,5-dimethyloxan-3-yl] benzoate?
The canonical SMILES for [(2S,4S,5S)-2-benzoyloxy-6-ethyl-4,5-dimethyloxan-3-yl] benzoate is CCC1O[C@@H](OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)[C@@H](C)[C@@H]1C.
What is the InChIKey of [(2S,4S,5S)-2-benzoyloxy-6-ethyl-4,5-dimethyloxan-3-yl] benzoate?
The InChIKey is UEFMFOLFNDPNNI-NFYDDXRESA-N. The full InChI is InChI=1S/C23H26O5/c1-4-19-15(2)16(3)20(27-21(24)17-11-7-5-8-12-17)23(26-19)28-22(25)18-13-9-6-10-14-18/h5-16,19-20,23H,4H2,1-3H3/t15-,16-,19?,20?,23-/m0/s1.
What are the key properties of [(2S,4S,5S)-2-benzoyloxy-6-ethyl-4,5-dimethyloxan-3-yl] benzoate?
[(2S,4S,5S)-2-benzoyloxy-6-ethyl-4,5-dimethyloxan-3-yl] benzoate has a molecular weight of 382.46 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S,5S)-2-benzoyloxy-6-ethyl-4,5-dimethyloxan-3-yl] benzoate is sourced from PubChem (CID 121355233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).