2-(4-hydroperoxy-4-methylpentan-2-yl)-1,3,5-trimethylbenzene

C15H24O2 — CID 15582074

IUPAC2-(4-hydroperoxy-4-methylpentan-2-yl)-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(C(C)CC(C)(C)OO)c(C)c1
InChIInChI=1S/C15H24O2/c1-10-7-11(2)14(12(3)8-10)13(4)9-15(5,6)17-16/h7-8,13,16H,9H2,1-6H3
InChIKeyHYXDONSRMNQHNX-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.37
Rot. Bonds4

About 2-(4-hydroperoxy-4-methylpentan-2-yl)-1,3,5-trimethylbenzene

2-(4-hydroperoxy-4-methylpentan-2-yl)-1,3,5-trimethylbenzene (PubChem CID 15582074) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-(4-hydroperoxy-4-methylpentan-2-yl)-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-(4-hydroperoxy-4-methylpentan-2-yl)-1,3,5-trimethylbenzene
PubChem CID15582074
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-(4-hydroperoxy-4-methylpentan-2-yl)-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(C(C)CC(C)(C)OO)c(C)c1
InChIInChI=1S/C15H24O2/c1-10-7-11(2)14(12(3)8-10)13(4)9-15(5,6)17-16/h7-8,13,16H,9H2,1-6H3
InChIKeyHYXDONSRMNQHNX-UHFFFAOYSA-N
XLogP4.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.37
H-Bond Donors ≤ 51
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroperoxy-4-methylpentan-2-yl)-1,3,5-trimethylbenzene?
The IUPAC name of 2-(4-hydroperoxy-4-methylpentan-2-yl)-1,3,5-trimethylbenzene (CID 15582074) is 2-(4-hydroperoxy-4-methylpentan-2-yl)-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-(4-hydroperoxy-4-methylpentan-2-yl)-1,3,5-trimethylbenzene?
The canonical SMILES for 2-(4-hydroperoxy-4-methylpentan-2-yl)-1,3,5-trimethylbenzene is Cc1cc(C)c(C(C)CC(C)(C)OO)c(C)c1.
What is the InChIKey of 2-(4-hydroperoxy-4-methylpentan-2-yl)-1,3,5-trimethylbenzene?
The InChIKey is HYXDONSRMNQHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-10-7-11(2)14(12(3)8-10)13(4)9-15(5,6)17-16/h7-8,13,16H,9H2,1-6H3.
What are the key properties of 2-(4-hydroperoxy-4-methylpentan-2-yl)-1,3,5-trimethylbenzene?
2-(4-hydroperoxy-4-methylpentan-2-yl)-1,3,5-trimethylbenzene has a molecular weight of 236.35 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroperoxy-4-methylpentan-2-yl)-1,3,5-trimethylbenzene is sourced from PubChem (CID 15582074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).