2-tert-butylperoxy-2-methylhexane

C11H24O2 — CID 12770143

IUPAC2-tert-butylperoxy-2-methylhexane
SMILESCCCCC(C)(C)OOC(C)(C)C
InChIInChI=1S/C11H24O2/c1-7-8-9-11(5,6)13-12-10(2,3)4/h7-9H2,1-6H3
InChIKeyRVBKAGOMAQTPBK-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.70
Rot. Bonds5

About 2-tert-butylperoxy-2-methylhexane

2-tert-butylperoxy-2-methylhexane (PubChem CID 12770143) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 2-tert-butylperoxy-2-methylhexane.

Molecular Properties

Compound Name2-tert-butylperoxy-2-methylhexane
PubChem CID12770143
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name2-tert-butylperoxy-2-methylhexane
SMILESCCCCC(C)(C)OOC(C)(C)C
InChIInChI=1S/C11H24O2/c1-7-8-9-11(5,6)13-12-10(2,3)4/h7-9H2,1-6H3
InChIKeyRVBKAGOMAQTPBK-UHFFFAOYSA-N
XLogP3.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.70
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 2-tert-butylperoxy-2-methylhexane?
The IUPAC name of 2-tert-butylperoxy-2-methylhexane (CID 12770143) is 2-tert-butylperoxy-2-methylhexane.
What is the SMILES notation for 2-tert-butylperoxy-2-methylhexane?
The canonical SMILES for 2-tert-butylperoxy-2-methylhexane is CCCCC(C)(C)OOC(C)(C)C.
What is the InChIKey of 2-tert-butylperoxy-2-methylhexane?
The InChIKey is RVBKAGOMAQTPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-7-8-9-11(5,6)13-12-10(2,3)4/h7-9H2,1-6H3.
What are the key properties of 2-tert-butylperoxy-2-methylhexane?
2-tert-butylperoxy-2-methylhexane has a molecular weight of 188.31 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylperoxy-2-methylhexane is sourced from PubChem (CID 12770143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).