9-tert-butylperoxy-9H-fluorene

C17H18O2 — CID 14434318

IUPAC9-tert-butylperoxy-9H-fluorene
SMILESCC(C)(C)OOC1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H18O2/c1-17(2,3)19-18-16-14-10-6-4-8-12(14)13-9-5-7-11-15(13)16/h4-11,16H,1-3H3
InChIKeyQMJGVGLRWFUWTC-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.50
Rot. Bonds2

About 9-tert-butylperoxy-9H-fluorene

9-tert-butylperoxy-9H-fluorene (PubChem CID 14434318) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 9-tert-butylperoxy-9H-fluorene.

Molecular Properties

Compound Name9-tert-butylperoxy-9H-fluorene
PubChem CID14434318
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name9-tert-butylperoxy-9H-fluorene
SMILESCC(C)(C)OOC1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H18O2/c1-17(2,3)19-18-16-14-10-6-4-8-12(14)13-9-5-7-11-15(13)16/h4-11,16H,1-3H3
InChIKeyQMJGVGLRWFUWTC-UHFFFAOYSA-N
XLogP4.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-tert-butylperoxy-9H-fluorene?
The IUPAC name of 9-tert-butylperoxy-9H-fluorene (CID 14434318) is 9-tert-butylperoxy-9H-fluorene.
What is the SMILES notation for 9-tert-butylperoxy-9H-fluorene?
The canonical SMILES for 9-tert-butylperoxy-9H-fluorene is CC(C)(C)OOC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9-tert-butylperoxy-9H-fluorene?
The InChIKey is QMJGVGLRWFUWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-17(2,3)19-18-16-14-10-6-4-8-12(14)13-9-5-7-11-15(13)16/h4-11,16H,1-3H3.
What are the key properties of 9-tert-butylperoxy-9H-fluorene?
9-tert-butylperoxy-9H-fluorene has a molecular weight of 254.33 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butylperoxy-9H-fluorene is sourced from PubChem (CID 14434318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).