(4-benzoyloxy-6-prop-2-enoxyoxan-2-yl)methyl benzoate

C23H24O6 — CID 123793228

IUPAC(4-benzoyloxy-6-prop-2-enoxyoxan-2-yl)methyl benzoate
SMILESC=CCOC1CC(OC(=O)c2ccccc2)CC(COC(=O)c2ccccc2)O1
InChIInChI=1S/C23H24O6/c1-2-13-26-21-15-19(29-23(25)18-11-7-4-8-12-18)14-20(28-21)16-27-22(24)17-9-5-3-6-10-17/h2-12,19-21H,1,13-16H2
InChIKeySFMAZZXTBGWXLC-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.78
Rot. Bonds8

About (4-benzoyloxy-6-prop-2-enoxyoxan-2-yl)methyl benzoate

(4-benzoyloxy-6-prop-2-enoxyoxan-2-yl)methyl benzoate (PubChem CID 123793228) has the molecular formula C23H24O6 and a molecular weight of 396.44 g/mol. Its IUPAC name is (4-benzoyloxy-6-prop-2-enoxyoxan-2-yl)methyl benzoate.

Molecular Properties

Compound Name(4-benzoyloxy-6-prop-2-enoxyoxan-2-yl)methyl benzoate
PubChem CID123793228
Molecular FormulaC23H24O6
Molecular Weight396.44 g/mol
Exact Mass396.16
IUPAC Name(4-benzoyloxy-6-prop-2-enoxyoxan-2-yl)methyl benzoate
SMILESC=CCOC1CC(OC(=O)c2ccccc2)CC(COC(=O)c2ccccc2)O1
InChIInChI=1S/C23H24O6/c1-2-13-26-21-15-19(29-23(25)18-11-7-4-8-12-18)14-20(28-21)16-27-22(24)17-9-5-3-6-10-17/h2-12,19-21H,1,13-16H2
InChIKeySFMAZZXTBGWXLC-UHFFFAOYSA-N
XLogP3.78
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2S,4R,6S)-4-benzoyloxy-6-methoxyoxan-2-yl]methyl benzoate
CID 10339119
[(2S,4R,5R)-4-benzoyloxy-5-bromooxolan-2-yl]methyl benzoate
CID 70401992
[(2S,4R,5R)-4-benzoyloxy-5-methoxyoxolan-2-yl]methyl benzoate
CID 101010370
[(2S,4R,6S)-4-benzoyloxy-6-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-2-yl]methyl benzoate
CID 10412106
[(2S,4S,5R,6R)-4,5-dibenzoyloxy-6-bromooxyoxan-2-yl]methyl benzoate
CID 67631238
[(2R,3R,4S,5R,6S)-3,5-dibenzoyloxy-6-[(2R,3R,4S,5R,6R)-4,5-dibenzoyloxy-2-(benzoyloxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-4-hydroxyoxan-2-yl]methyl benzoate
CID 102303682
[(2R,5S)-5-(benzoyloxymethyl)-1,4-dioxan-2-yl]methyl benzoate
CID 1040756
[(2S,3S,4R,5S)-3,4-dibenzoyloxy-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-prop-2-enoxyoxan-3-yl]oxyoxolan-2-yl]methyl benzoate
CID 11114940
[(2R,4S,6S)-4-chloro-6-phenyloxan-2-yl]methyl benzoate
CID 102148599
[(2R,3S,5S)-5-benzoyloxy-3-fluorooxolan-2-yl]methyl benzoate
CID 11035320
[(2R,3R,4R,5S,6R)-3,4-dibenzoyloxy-5-hydroxy-6-prop-2-enyloxan-2-yl]methyl benzoate
CID 11049571
[(2R,3R,4S,5S,6S)-3-[(2S,3R,4R,5S,6S)-3-acetyloxy-4,5-dibenzoyloxy-6-methyloxan-2-yl]oxy-4,5-dibenzoyloxy-6-prop-2-enoxyoxan-2-yl]methyl benzoate
CID 11768197

Frequently Asked Questions

What is the IUPAC name of (4-benzoyloxy-6-prop-2-enoxyoxan-2-yl)methyl benzoate?
The IUPAC name of (4-benzoyloxy-6-prop-2-enoxyoxan-2-yl)methyl benzoate (CID 123793228) is (4-benzoyloxy-6-prop-2-enoxyoxan-2-yl)methyl benzoate.
What is the SMILES notation for (4-benzoyloxy-6-prop-2-enoxyoxan-2-yl)methyl benzoate?
The canonical SMILES for (4-benzoyloxy-6-prop-2-enoxyoxan-2-yl)methyl benzoate is C=CCOC1CC(OC(=O)c2ccccc2)CC(COC(=O)c2ccccc2)O1.
What is the InChIKey of (4-benzoyloxy-6-prop-2-enoxyoxan-2-yl)methyl benzoate?
The InChIKey is SFMAZZXTBGWXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O6/c1-2-13-26-21-15-19(29-23(25)18-11-7-4-8-12-18)14-20(28-21)16-27-22(24)17-9-5-3-6-10-17/h2-12,19-21H,1,13-16H2.
What are the key properties of (4-benzoyloxy-6-prop-2-enoxyoxan-2-yl)methyl benzoate?
(4-benzoyloxy-6-prop-2-enoxyoxan-2-yl)methyl benzoate has a molecular weight of 396.44 g/mol, XLogP of 3.78, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoyloxy-6-prop-2-enoxyoxan-2-yl)methyl benzoate is sourced from PubChem (CID 123793228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).