(2-methylpropan-2-yl)oxy benzenecarboperoxoate;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene

C29H36O6 — CID 174533693

IUPAC(2-methylpropan-2-yl)oxy benzenecarboperoxoate;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
SMILESCC(C)(C)OOOC(=O)c1ccccc1.CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O2.C11H14O4/c1-17(2,15-11-7-5-8-12-15)19-20-18(3,4)16-13-9-6-10-14-16;1-11(2,3)14-15-13-10(12)9-7-5-4-6-8-9/h5-14H,1-4H3;4-8H,1-3H3
InChIKeyUQZAPPMENJSARN-UHFFFAOYSA-N
MW480.60 g/mol
LogP7.31
Rot. Bonds8

About (2-methylpropan-2-yl)oxy benzenecarboperoxoate;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene

(2-methylpropan-2-yl)oxy benzenecarboperoxoate;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene (PubChem CID 174533693) has the molecular formula C29H36O6 and a molecular weight of 480.60 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxy benzenecarboperoxoate;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxy benzenecarboperoxoate;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
PubChem CID174533693
Molecular FormulaC29H36O6
Molecular Weight480.60 g/mol
Exact Mass480.25
IUPAC Name(2-methylpropan-2-yl)oxy benzenecarboperoxoate;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
SMILESCC(C)(C)OOOC(=O)c1ccccc1.CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O2.C11H14O4/c1-17(2,15-11-7-5-8-12-15)19-20-18(3,4)16-13-9-6-10-14-16;1-11(2,3)14-15-13-10(12)9-7-5-4-6-8-9/h5-14H,1-4H3;4-8H,1-3H3
InChIKeyUQZAPPMENJSARN-UHFFFAOYSA-N
XLogP7.31
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.60
LogP ≤ 57.31
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
benzoyl benzenecarboperoxoate;2-tert-butylperoxy-2-methylpropane
CID 87385719
butane;2-phenylpropan-2-yl benzenecarboperoxoate
CID 174772868
tert-butyl 4-benzoylbenzenecarboperoxoate
CID 13494638
benzenecarboperoxoic acid;tert-butyl benzenecarboperoxoate
CID 87085937
2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174400461
carboxy hydrogen carbonate;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 175134122
(5-benzoylperoxy-2,5-dimethylhexan-2-yl) benzenecarboperoxoate;2,5-bis(tert-butylperoxy)-2,5-dimethylhexane
CID 21188236
azane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 159050538
2-methyldodecan-2-yloxy benzenecarboperoxoate
CID 174353000
acetylperoxy benzenecarboperoxoate
CID 154134678
benzene;(5-benzoylperoxy-2,5-dimethylhexan-2-yl) benzenecarboperoxoate;2-hydroperoxy-2-methylpropane
CID 174814619

Frequently Asked Questions

What is the IUPAC name of (2-methylpropan-2-yl)oxy benzenecarboperoxoate;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene?
The IUPAC name of (2-methylpropan-2-yl)oxy benzenecarboperoxoate;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene (CID 174533693) is (2-methylpropan-2-yl)oxy benzenecarboperoxoate;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene.
What is the SMILES notation for (2-methylpropan-2-yl)oxy benzenecarboperoxoate;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene?
The canonical SMILES for (2-methylpropan-2-yl)oxy benzenecarboperoxoate;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene is CC(C)(C)OOOC(=O)c1ccccc1.CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1.
What is the InChIKey of (2-methylpropan-2-yl)oxy benzenecarboperoxoate;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene?
The InChIKey is UQZAPPMENJSARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2.C11H14O4/c1-17(2,15-11-7-5-8-12-15)19-20-18(3,4)16-13-9-6-10-14-16;1-11(2,3)14-15-13-10(12)9-7-5-4-6-8-9/h5-14H,1-4H3;4-8H,1-3H3.
What are the key properties of (2-methylpropan-2-yl)oxy benzenecarboperoxoate;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene?
(2-methylpropan-2-yl)oxy benzenecarboperoxoate;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene has a molecular weight of 480.60 g/mol, XLogP of 7.31, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropan-2-yl)oxy benzenecarboperoxoate;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene is sourced from PubChem (CID 174533693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).