benzoyl benzenecarboperoxoate;prop-1-ene

C17H16O4 — CID 163525367

IUPACbenzoyl benzenecarboperoxoate;prop-1-ene
SMILESC=CC.O=C(OOC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10O4.C3H6/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12;1-3-2/h1-10H;3H,1H2,2H3
InChIKeyDOHCATRGCNBMLD-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.81
Rot. Bonds2

About benzoyl benzenecarboperoxoate;prop-1-ene

benzoyl benzenecarboperoxoate;prop-1-ene (PubChem CID 163525367) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is benzoyl benzenecarboperoxoate;prop-1-ene.

Molecular Properties

Compound Namebenzoyl benzenecarboperoxoate;prop-1-ene
PubChem CID163525367
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Namebenzoyl benzenecarboperoxoate;prop-1-ene
SMILESC=CC.O=C(OOC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10O4.C3H6/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12;1-3-2/h1-10H;3H,1H2,2H3
InChIKeyDOHCATRGCNBMLD-UHFFFAOYSA-N
XLogP3.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

argon;benzoyl benzenecarboperoxoate
CID 161437596
CID 19766641
CID 19766641
benzoyl benzenecarboperoxoate;hydron
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benzoyl benzenecarboperoxoate;prop-2-en-1-amine
CID 88605356
benzoyl benzenecarboperoxoate;2-ethenylphenol
CID 174484320
benzoyl benzenecarboperoxoate;1-phenylethanone
CID 158043567
benzoyl benzenecarboperoxoate;trioxirane
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CID 87835991
benzoyl benzenecarboperoxoate;2-tert-butylperoxy-2-methylpropane
CID 87385719
ethenyl benzoate
CID 158178912
buta-1,3-dienyl benzenecarboperoxoate
CID 174974294
CID 69279397
CID 69279397

Frequently Asked Questions

What is the IUPAC name of benzoyl benzenecarboperoxoate;prop-1-ene?
The IUPAC name of benzoyl benzenecarboperoxoate;prop-1-ene (CID 163525367) is benzoyl benzenecarboperoxoate;prop-1-ene.
What is the SMILES notation for benzoyl benzenecarboperoxoate;prop-1-ene?
The canonical SMILES for benzoyl benzenecarboperoxoate;prop-1-ene is C=CC.O=C(OOC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of benzoyl benzenecarboperoxoate;prop-1-ene?
The InChIKey is DOHCATRGCNBMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4.C3H6/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12;1-3-2/h1-10H;3H,1H2,2H3.
What are the key properties of benzoyl benzenecarboperoxoate;prop-1-ene?
benzoyl benzenecarboperoxoate;prop-1-ene has a molecular weight of 284.31 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl benzenecarboperoxoate;prop-1-ene is sourced from PubChem (CID 163525367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).