benzoyl benzenecarboperoxoate;2-tert-butylperoxy-2-methylpropane

C22H28O6 — CID 87385719

IUPACbenzoyl benzenecarboperoxoate;2-tert-butylperoxy-2-methylpropane
SMILESCC(C)(C)OOC(C)(C)C.O=C(OOC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10O4.C8H18O2/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12;1-7(2,3)9-10-8(4,5)6/h1-10H;1-6H3
InChIKeyHFUSECPXGUISGB-UHFFFAOYSA-N
MW388.46 g/mol
LogP5.15
Rot. Bonds3

About benzoyl benzenecarboperoxoate;2-tert-butylperoxy-2-methylpropane

benzoyl benzenecarboperoxoate;2-tert-butylperoxy-2-methylpropane (PubChem CID 87385719) has the molecular formula C22H28O6 and a molecular weight of 388.46 g/mol. Its IUPAC name is benzoyl benzenecarboperoxoate;2-tert-butylperoxy-2-methylpropane.

Molecular Properties

Compound Namebenzoyl benzenecarboperoxoate;2-tert-butylperoxy-2-methylpropane
PubChem CID87385719
Molecular FormulaC22H28O6
Molecular Weight388.46 g/mol
Exact Mass388.19
IUPAC Namebenzoyl benzenecarboperoxoate;2-tert-butylperoxy-2-methylpropane
SMILESCC(C)(C)OOC(C)(C)C.O=C(OOC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10O4.C8H18O2/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12;1-7(2,3)9-10-8(4,5)6/h1-10H;1-6H3
InChIKeyHFUSECPXGUISGB-UHFFFAOYSA-N
XLogP5.15
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.46
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

tert-butylperoxy benzenecarboperoxoate
CID 19065300
(5-benzoylperoxy-2,5-dimethylhexan-2-yl) benzenecarboperoxoate;2,5-bis(tert-butylperoxy)-2,5-dimethylhexane
CID 21188236
tert-butyl 4-benzoylbenzenecarboperoxoate
CID 13494638
benzenecarboperoxoic acid;tert-butyl benzenecarboperoxoate
CID 87085937
benzoyl benzenecarboperoxoate;hydron
CID 20524010
argon;benzoyl benzenecarboperoxoate
CID 161437596
CID 19766641
CID 19766641
(2-methylpropan-2-yl)oxy benzenecarboperoxoate;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174533693
benzoyl benzenecarboperoxoate;1-phenylethanone
CID 158043567
benzene;(5-benzoylperoxy-2,5-dimethylhexan-2-yl) benzenecarboperoxoate;2-hydroperoxy-2-methylpropane
CID 174814619
benzoyl benzenecarboperoxoate;trioxirane
CID 174834892
CID 162139404
CID 162139404

Frequently Asked Questions

What is the IUPAC name of benzoyl benzenecarboperoxoate;2-tert-butylperoxy-2-methylpropane?
The IUPAC name of benzoyl benzenecarboperoxoate;2-tert-butylperoxy-2-methylpropane (CID 87385719) is benzoyl benzenecarboperoxoate;2-tert-butylperoxy-2-methylpropane.
What is the SMILES notation for benzoyl benzenecarboperoxoate;2-tert-butylperoxy-2-methylpropane?
The canonical SMILES for benzoyl benzenecarboperoxoate;2-tert-butylperoxy-2-methylpropane is CC(C)(C)OOC(C)(C)C.O=C(OOC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of benzoyl benzenecarboperoxoate;2-tert-butylperoxy-2-methylpropane?
The InChIKey is HFUSECPXGUISGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4.C8H18O2/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12;1-7(2,3)9-10-8(4,5)6/h1-10H;1-6H3.
What are the key properties of benzoyl benzenecarboperoxoate;2-tert-butylperoxy-2-methylpropane?
benzoyl benzenecarboperoxoate;2-tert-butylperoxy-2-methylpropane has a molecular weight of 388.46 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl benzenecarboperoxoate;2-tert-butylperoxy-2-methylpropane is sourced from PubChem (CID 87385719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).