benzoyl benzoate;methylperoxymethane

C16H16O5 — CID 88758305

IUPACbenzoyl benzoate;methylperoxymethane
SMILESCOOC.O=C(OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10O3.C2H6O2/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12;1-3-4-2/h1-10H;1-2H3
InChIKeyPTRBYIJDUWDATD-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.88
Rot. Bonds3

About benzoyl benzoate;methylperoxymethane

benzoyl benzoate;methylperoxymethane (PubChem CID 88758305) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is benzoyl benzoate;methylperoxymethane.

Molecular Properties

Compound Namebenzoyl benzoate;methylperoxymethane
PubChem CID88758305
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Namebenzoyl benzoate;methylperoxymethane
SMILESCOOC.O=C(OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10O3.C2H6O2/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12;1-3-4-2/h1-10H;1-2H3
InChIKeyPTRBYIJDUWDATD-UHFFFAOYSA-N
XLogP2.88
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 162308474
CID 162308474
benzoyl benzoate;2-methylprop-2-enoic acid
CID 87155251
benzoyl benzoate;benzoyl chloride
CID 157050310
benzoyl benzoate;N,N-dimethylethanamine
CID 174532013
CID 157228504
CID 157228504
methyl benzoate;hydrate
CID 141218240
benzoyl 4-methylsulfanylbenzoate
CID 88817046
ethane;methoxymethane;methyl benzoate
CID 90999424
benzaldehyde;benzoyl benzoate
CID 160747482
iron;2-oxopropanoyl benzoate
CID 174449626
5-benzoyloxycarbonylbenzene-1,2,4-tricarboxylic acid
CID 141440230
benzoyl 3-tert-butylbenzoate
CID 174291385

Frequently Asked Questions

What is the IUPAC name of benzoyl benzoate;methylperoxymethane?
The IUPAC name of benzoyl benzoate;methylperoxymethane (CID 88758305) is benzoyl benzoate;methylperoxymethane.
What is the SMILES notation for benzoyl benzoate;methylperoxymethane?
The canonical SMILES for benzoyl benzoate;methylperoxymethane is COOC.O=C(OC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of benzoyl benzoate;methylperoxymethane?
The InChIKey is PTRBYIJDUWDATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3.C2H6O2/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12;1-3-4-2/h1-10H;1-2H3.
What are the key properties of benzoyl benzoate;methylperoxymethane?
benzoyl benzoate;methylperoxymethane has a molecular weight of 288.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl benzoate;methylperoxymethane is sourced from PubChem (CID 88758305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).