(6-benzoyloxy-3,4,5-trimethyloxan-2-yl)methyl benzoate

C23H26O5 — CID 158352578

IUPAC(6-benzoyloxy-3,4,5-trimethyloxan-2-yl)methyl benzoate
SMILESCC1C(COC(=O)c2ccccc2)OC(OC(=O)c2ccccc2)C(C)C1C
InChIInChI=1S/C23H26O5/c1-15-16(2)20(14-26-21(24)18-10-6-4-7-11-18)27-23(17(15)3)28-22(25)19-12-8-5-9-13-19/h4-13,15-17,20,23H,14H2,1-3H3
InChIKeyVNKVQEDHESOSSS-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.33
Rot. Bonds5

About (6-benzoyloxy-3,4,5-trimethyloxan-2-yl)methyl benzoate

(6-benzoyloxy-3,4,5-trimethyloxan-2-yl)methyl benzoate (PubChem CID 158352578) has the molecular formula C23H26O5 and a molecular weight of 382.46 g/mol. Its IUPAC name is (6-benzoyloxy-3,4,5-trimethyloxan-2-yl)methyl benzoate.

Molecular Properties

Compound Name(6-benzoyloxy-3,4,5-trimethyloxan-2-yl)methyl benzoate
PubChem CID158352578
Molecular FormulaC23H26O5
Molecular Weight382.46 g/mol
Exact Mass382.18
IUPAC Name(6-benzoyloxy-3,4,5-trimethyloxan-2-yl)methyl benzoate
SMILESCC1C(COC(=O)c2ccccc2)OC(OC(=O)c2ccccc2)C(C)C1C
InChIInChI=1S/C23H26O5/c1-15-16(2)20(14-26-21(24)18-10-6-4-7-11-18)27-23(17(15)3)28-22(25)19-12-8-5-9-13-19/h4-13,15-17,20,23H,14H2,1-3H3
InChIKeyVNKVQEDHESOSSS-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,6-dibenzoyloxy-4,5-dimethyloxan-2-yl)methyl benzoate
CID 160727114
[4,5-dibenzoyloxy-3-methyl-6-[4,5,6-tribenzoyloxy-2-(benzoyloxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl benzoate
CID 118963626
[(3S,4S,6S)-3,4,5-trimethyl-6-[2-(2-propoxyethoxy)ethoxy]oxan-2-yl]methyl benzoate
CID 165082631
[3,4,5-trimethyl-6-[2-(2-propoxyethoxy)ethoxy]oxan-2-yl]methyl benzoate
CID 76686162
[(2S,3R,4R,5R)-3,4,5-tribenzoyloxyoxolan-2-yl]methyl benzoate
CID 124525731
(3,4,5-tribenzoyloxyoxolan-2-yl)methyl benzoate
CID 11979358
[(2R,3R,4S,5R)-3,5-dibenzoyloxy-4-chlorooxolan-2-yl]methyl benzoate
CID 69166995
[(2S,3S,4S,5S)-3,5-dibenzoyloxy-4-chlorooxolan-2-yl]methyl benzoate
CID 69166994
[(2R,3R,4R,5R)-3,4,5,6-tetrabenzoyloxyoxan-2-yl]methyl benzoate
CID 163335544
[(2S,3S,4R,5S,6S)-3,4,5,6-tetrabenzoyloxyoxan-2-yl]methyl benzoate
CID 124523751
(5-benzoyloxy-6-ethanimidoyloxy-3,4-dimethyloxan-2-yl)methyl benzoate
CID 157314005
[(3S,4S,6S)-6-ethylsulfanyl-3,4,5-trimethyloxan-2-yl]methyl benzoate
CID 118241367

Frequently Asked Questions

What is the IUPAC name of (6-benzoyloxy-3,4,5-trimethyloxan-2-yl)methyl benzoate?
The IUPAC name of (6-benzoyloxy-3,4,5-trimethyloxan-2-yl)methyl benzoate (CID 158352578) is (6-benzoyloxy-3,4,5-trimethyloxan-2-yl)methyl benzoate.
What is the SMILES notation for (6-benzoyloxy-3,4,5-trimethyloxan-2-yl)methyl benzoate?
The canonical SMILES for (6-benzoyloxy-3,4,5-trimethyloxan-2-yl)methyl benzoate is CC1C(COC(=O)c2ccccc2)OC(OC(=O)c2ccccc2)C(C)C1C.
What is the InChIKey of (6-benzoyloxy-3,4,5-trimethyloxan-2-yl)methyl benzoate?
The InChIKey is VNKVQEDHESOSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O5/c1-15-16(2)20(14-26-21(24)18-10-6-4-7-11-18)27-23(17(15)3)28-22(25)19-12-8-5-9-13-19/h4-13,15-17,20,23H,14H2,1-3H3.
What are the key properties of (6-benzoyloxy-3,4,5-trimethyloxan-2-yl)methyl benzoate?
(6-benzoyloxy-3,4,5-trimethyloxan-2-yl)methyl benzoate has a molecular weight of 382.46 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-benzoyloxy-3,4,5-trimethyloxan-2-yl)methyl benzoate is sourced from PubChem (CID 158352578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).