2,2-bis(2-phenylpropan-2-ylperoxy)-1,3-dihydroindene

C27H30O4 — CID 163671526

IUPAC2,2-bis(2-phenylpropan-2-ylperoxy)-1,3-dihydroindene
SMILESCC(C)(OOC1(OOC(C)(C)c2ccccc2)Cc2ccccc2C1)c1ccccc1
InChIInChI=1S/C27H30O4/c1-25(2,23-15-7-5-8-16-23)28-30-27(19-21-13-11-12-14-22(21)20-27)31-29-26(3,4)24-17-9-6-10-18-24/h5-18H,19-20H2,1-4H3
InChIKeyJCZKFDWKZQWQES-UHFFFAOYSA-N
MW418.53 g/mol
LogP6.25
Rot. Bonds8

About 2,2-bis(2-phenylpropan-2-ylperoxy)-1,3-dihydroindene

2,2-bis(2-phenylpropan-2-ylperoxy)-1,3-dihydroindene (PubChem CID 163671526) has the molecular formula C27H30O4 and a molecular weight of 418.53 g/mol. Its IUPAC name is 2,2-bis(2-phenylpropan-2-ylperoxy)-1,3-dihydroindene.

Molecular Properties

Compound Name2,2-bis(2-phenylpropan-2-ylperoxy)-1,3-dihydroindene
PubChem CID163671526
Molecular FormulaC27H30O4
Molecular Weight418.53 g/mol
Exact Mass418.21
IUPAC Name2,2-bis(2-phenylpropan-2-ylperoxy)-1,3-dihydroindene
SMILESCC(C)(OOC1(OOC(C)(C)c2ccccc2)Cc2ccccc2C1)c1ccccc1
InChIInChI=1S/C27H30O4/c1-25(2,23-15-7-5-8-16-23)28-30-27(19-21-13-11-12-14-22(21)20-27)31-29-26(3,4)24-17-9-6-10-18-24/h5-18H,19-20H2,1-4H3
InChIKeyJCZKFDWKZQWQES-UHFFFAOYSA-N
XLogP6.25
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.53
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174400461
azane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 159050538
cyclohexane;ethene;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174748033
[diphenyl(2-phenylpropan-2-ylperoxy)methyl]benzene
CID 13066047
dichlorozinc;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174507938
2-ethylperoxypropan-2-ylbenzene
CID 14923166
2-(1-hydroxy-1-phenylethyl)-1,3-dihydroindene-2-carbonitrile
CID 79130749
carboxy hydrogen carbonate;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 175134122
2-(2,3-dimethylbutan-2-ylperoxy)propan-2-ylbenzene
CID 71441209
diphenyl(2-phenylpropan-2-ylperoxy)silane
CID 173375091
1-fluoro-2-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]benzene
CID 54518129
2-(2-phenylpropan-2-ylperoxy)ethanol
CID 13111058

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-phenylpropan-2-ylperoxy)-1,3-dihydroindene?
The IUPAC name of 2,2-bis(2-phenylpropan-2-ylperoxy)-1,3-dihydroindene (CID 163671526) is 2,2-bis(2-phenylpropan-2-ylperoxy)-1,3-dihydroindene.
What is the SMILES notation for 2,2-bis(2-phenylpropan-2-ylperoxy)-1,3-dihydroindene?
The canonical SMILES for 2,2-bis(2-phenylpropan-2-ylperoxy)-1,3-dihydroindene is CC(C)(OOC1(OOC(C)(C)c2ccccc2)Cc2ccccc2C1)c1ccccc1.
What is the InChIKey of 2,2-bis(2-phenylpropan-2-ylperoxy)-1,3-dihydroindene?
The InChIKey is JCZKFDWKZQWQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30O4/c1-25(2,23-15-7-5-8-16-23)28-30-27(19-21-13-11-12-14-22(21)20-27)31-29-26(3,4)24-17-9-6-10-18-24/h5-18H,19-20H2,1-4H3.
What are the key properties of 2,2-bis(2-phenylpropan-2-ylperoxy)-1,3-dihydroindene?
2,2-bis(2-phenylpropan-2-ylperoxy)-1,3-dihydroindene has a molecular weight of 418.53 g/mol, XLogP of 6.25, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-phenylpropan-2-ylperoxy)-1,3-dihydroindene is sourced from PubChem (CID 163671526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).