10-tert-butylperoxy-10-methylanthracen-9-one

C19H20O3 — CID 13164118

IUPAC10-tert-butylperoxy-10-methylanthracen-9-one
SMILESCC(C)(C)OOC1(C)c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C19H20O3/c1-18(2,3)21-22-19(4)15-11-7-5-9-13(15)17(20)14-10-6-8-12-16(14)19/h5-12H,1-4H3
InChIKeyPIUASEUYGQACJB-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.24
Rot. Bonds2

About 10-tert-butylperoxy-10-methylanthracen-9-one

10-tert-butylperoxy-10-methylanthracen-9-one (PubChem CID 13164118) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 10-tert-butylperoxy-10-methylanthracen-9-one.

Molecular Properties

Compound Name10-tert-butylperoxy-10-methylanthracen-9-one
PubChem CID13164118
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name10-tert-butylperoxy-10-methylanthracen-9-one
SMILESCC(C)(C)OOC1(C)c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C19H20O3/c1-18(2,3)21-22-19(4)15-11-7-5-9-13(15)17(20)14-10-6-8-12-16(14)19/h5-12H,1-4H3
InChIKeyPIUASEUYGQACJB-UHFFFAOYSA-N
XLogP4.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 10-tert-butylperoxy-10-methylanthracen-9-one?
The IUPAC name of 10-tert-butylperoxy-10-methylanthracen-9-one (CID 13164118) is 10-tert-butylperoxy-10-methylanthracen-9-one.
What is the SMILES notation for 10-tert-butylperoxy-10-methylanthracen-9-one?
The canonical SMILES for 10-tert-butylperoxy-10-methylanthracen-9-one is CC(C)(C)OOC1(C)c2ccccc2C(=O)c2ccccc21.
What is the InChIKey of 10-tert-butylperoxy-10-methylanthracen-9-one?
The InChIKey is PIUASEUYGQACJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-18(2,3)21-22-19(4)15-11-7-5-9-13(15)17(20)14-10-6-8-12-16(14)19/h5-12H,1-4H3.
What are the key properties of 10-tert-butylperoxy-10-methylanthracen-9-one?
10-tert-butylperoxy-10-methylanthracen-9-one has a molecular weight of 296.37 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-tert-butylperoxy-10-methylanthracen-9-one is sourced from PubChem (CID 13164118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).