benzoyl benzenecarboperoxoate;trioxirane

C14H10O7 — CID 174834892

IUPACbenzoyl benzenecarboperoxoate;trioxirane
SMILESO=C(OOC(=O)c1ccccc1)c1ccccc1.o1oo1
InChIInChI=1S/C14H10O4.O3/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12;1-2-3-1/h1-10H;
InChIKeyDQPIHHAFVBYBKD-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.08
Rot. Bonds2

About benzoyl benzenecarboperoxoate;trioxirane

benzoyl benzenecarboperoxoate;trioxirane (PubChem CID 174834892) has the molecular formula C14H10O7 and a molecular weight of 290.23 g/mol. Its IUPAC name is benzoyl benzenecarboperoxoate;trioxirane.

Molecular Properties

Compound Namebenzoyl benzenecarboperoxoate;trioxirane
PubChem CID174834892
Molecular FormulaC14H10O7
Molecular Weight290.23 g/mol
Exact Mass290.04
IUPAC Namebenzoyl benzenecarboperoxoate;trioxirane
SMILESO=C(OOC(=O)c1ccccc1)c1ccccc1.o1oo1
InChIInChI=1S/C14H10O4.O3/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12;1-2-3-1/h1-10H;
InChIKeyDQPIHHAFVBYBKD-UHFFFAOYSA-N
XLogP3.08
TPSA92.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 19766641
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Frequently Asked Questions

What is the IUPAC name of benzoyl benzenecarboperoxoate;trioxirane?
The IUPAC name of benzoyl benzenecarboperoxoate;trioxirane (CID 174834892) is benzoyl benzenecarboperoxoate;trioxirane.
What is the SMILES notation for benzoyl benzenecarboperoxoate;trioxirane?
The canonical SMILES for benzoyl benzenecarboperoxoate;trioxirane is O=C(OOC(=O)c1ccccc1)c1ccccc1.o1oo1.
What is the InChIKey of benzoyl benzenecarboperoxoate;trioxirane?
The InChIKey is DQPIHHAFVBYBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4.O3/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12;1-2-3-1/h1-10H;.
What are the key properties of benzoyl benzenecarboperoxoate;trioxirane?
benzoyl benzenecarboperoxoate;trioxirane has a molecular weight of 290.23 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl benzenecarboperoxoate;trioxirane is sourced from PubChem (CID 174834892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).