2-tert-butylperoxy-2-methylpropane;decane

C18H40O2 — CID 88920402

IUPAC2-tert-butylperoxy-2-methylpropane;decane
SMILESCC(C)(C)OOC(C)(C)C.CCCCCCCCCC
InChIInChI=1S/C10H22.C8H18O2/c1-3-5-7-9-10-8-6-4-2;1-7(2,3)9-10-8(4,5)6/h3-10H2,1-2H3;1-6H3
InChIKeySCIUVPISKYHUMQ-UHFFFAOYSA-N
MW288.52 g/mol
LogP6.68
Rot. Bonds8

About 2-tert-butylperoxy-2-methylpropane;decane

2-tert-butylperoxy-2-methylpropane;decane (PubChem CID 88920402) has the molecular formula C18H40O2 and a molecular weight of 288.52 g/mol. Its IUPAC name is 2-tert-butylperoxy-2-methylpropane;decane.

Molecular Properties

Compound Name2-tert-butylperoxy-2-methylpropane;decane
PubChem CID88920402
Molecular FormulaC18H40O2
Molecular Weight288.52 g/mol
Exact Mass288.30
IUPAC Name2-tert-butylperoxy-2-methylpropane;decane
SMILESCC(C)(C)OOC(C)(C)C.CCCCCCCCCC
InChIInChI=1S/C10H22.C8H18O2/c1-3-5-7-9-10-8-6-4-2;1-7(2,3)9-10-8(4,5)6/h3-10H2,1-2H3;1-6H3
InChIKeySCIUVPISKYHUMQ-UHFFFAOYSA-N
XLogP6.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.52
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methylpropane;decane?
The IUPAC name of 2-tert-butylperoxy-2-methylpropane;decane (CID 88920402) is 2-tert-butylperoxy-2-methylpropane;decane.
What is the SMILES notation for 2-tert-butylperoxy-2-methylpropane;decane?
The canonical SMILES for 2-tert-butylperoxy-2-methylpropane;decane is CC(C)(C)OOC(C)(C)C.CCCCCCCCCC.
What is the InChIKey of 2-tert-butylperoxy-2-methylpropane;decane?
The InChIKey is SCIUVPISKYHUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.C8H18O2/c1-3-5-7-9-10-8-6-4-2;1-7(2,3)9-10-8(4,5)6/h3-10H2,1-2H3;1-6H3.
What are the key properties of 2-tert-butylperoxy-2-methylpropane;decane?
2-tert-butylperoxy-2-methylpropane;decane has a molecular weight of 288.52 g/mol, XLogP of 6.68, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylperoxy-2-methylpropane;decane is sourced from PubChem (CID 88920402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).