benzoyloxycarbonylperoxyperoxycarbonyl benzoate

C16H10O10 — CID 54252769

IUPACbenzoyloxycarbonylperoxyperoxycarbonyl benzoate
SMILESO=C(OOOOC(=O)OC(=O)c1ccccc1)OC(=O)c1ccccc1
InChIInChI=1S/C16H10O10/c17-13(11-7-3-1-4-8-11)21-15(19)23-25-26-24-16(20)22-14(18)12-9-5-2-6-10-12/h1-10H
InChIKeyQXXZHCGFKYROKN-UHFFFAOYSA-N
MW362.25 g/mol
LogP2.75
Rot. Bonds5

About benzoyloxycarbonylperoxyperoxycarbonyl benzoate

benzoyloxycarbonylperoxyperoxycarbonyl benzoate (PubChem CID 54252769) has the molecular formula C16H10O10 and a molecular weight of 362.25 g/mol. Its IUPAC name is benzoyloxycarbonylperoxyperoxycarbonyl benzoate.

Molecular Properties

Compound Namebenzoyloxycarbonylperoxyperoxycarbonyl benzoate
PubChem CID54252769
Molecular FormulaC16H10O10
Molecular Weight362.25 g/mol
Exact Mass362.03
IUPAC Namebenzoyloxycarbonylperoxyperoxycarbonyl benzoate
SMILESO=C(OOOOC(=O)OC(=O)c1ccccc1)OC(=O)c1ccccc1
InChIInChI=1S/C16H10O10/c17-13(11-7-3-1-4-8-11)21-15(19)23-25-26-24-16(20)22-14(18)12-9-5-2-6-10-12/h1-10H
InChIKeyQXXZHCGFKYROKN-UHFFFAOYSA-N
XLogP2.75
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze benzoyloxycarbonylperoxyperoxycarbonyl benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

argon;benzoyl benzenecarboperoxoate
CID 161437596
CID 19766641
CID 19766641
benzoyl benzenecarboperoxoate;hydron
CID 20524010
CID 162308474
CID 162308474
benzoyl benzoate;methylperoxymethane
CID 88758305
5-benzoyloxycarbonylbenzene-1,2,4-tricarboxylic acid
CID 141440230
acetylperoxy benzenecarboperoxoate
CID 154134678
benzoyl benzoate;benzoyl chloride
CID 157050310
benzoyl benzenecarboperoxoate;trioxirane
CID 174834892
oxaldehydoyl benzoate
CID 54378501
[(2R)-2-hydroxy-2-phenylacetyl] benzoate
CID 139898238
benzenecarboperoxoic acid;benzoyl benzenecarboperoxoate
CID 87835991

Frequently Asked Questions

What is the IUPAC name of benzoyloxycarbonylperoxyperoxycarbonyl benzoate?
The IUPAC name of benzoyloxycarbonylperoxyperoxycarbonyl benzoate (CID 54252769) is benzoyloxycarbonylperoxyperoxycarbonyl benzoate.
What is the SMILES notation for benzoyloxycarbonylperoxyperoxycarbonyl benzoate?
The canonical SMILES for benzoyloxycarbonylperoxyperoxycarbonyl benzoate is O=C(OOOOC(=O)OC(=O)c1ccccc1)OC(=O)c1ccccc1.
What is the InChIKey of benzoyloxycarbonylperoxyperoxycarbonyl benzoate?
The InChIKey is QXXZHCGFKYROKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O10/c17-13(11-7-3-1-4-8-11)21-15(19)23-25-26-24-16(20)22-14(18)12-9-5-2-6-10-12/h1-10H.
What are the key properties of benzoyloxycarbonylperoxyperoxycarbonyl benzoate?
benzoyloxycarbonylperoxyperoxycarbonyl benzoate has a molecular weight of 362.25 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyloxycarbonylperoxyperoxycarbonyl benzoate is sourced from PubChem (CID 54252769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).