1,4-bis(tert-butylperoxy)-2-methylpentane

C14H30O4 — CID 139596778

IUPAC1,4-bis(tert-butylperoxy)-2-methylpentane
SMILESCC(COOC(C)(C)C)CC(C)OOC(C)(C)C
InChIInChI=1S/C14H30O4/c1-11(10-15-17-13(3,4)5)9-12(2)16-18-14(6,7)8/h11-12H,9-10H2,1-8H3
InChIKeyQKEMKESGMSHRMA-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.89
Rot. Bonds7

About 1,4-bis(tert-butylperoxy)-2-methylpentane

1,4-bis(tert-butylperoxy)-2-methylpentane (PubChem CID 139596778) has the molecular formula C14H30O4 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1,4-bis(tert-butylperoxy)-2-methylpentane.

Molecular Properties

Compound Name1,4-bis(tert-butylperoxy)-2-methylpentane
PubChem CID139596778
Molecular FormulaC14H30O4
Molecular Weight262.39 g/mol
Exact Mass262.21
IUPAC Name1,4-bis(tert-butylperoxy)-2-methylpentane
SMILESCC(COOC(C)(C)C)CC(C)OOC(C)(C)C
InChIInChI=1S/C14H30O4/c1-11(10-15-17-13(3,4)5)9-12(2)16-18-14(6,7)8/h11-12H,9-10H2,1-8H3
InChIKeyQKEMKESGMSHRMA-UHFFFAOYSA-N
XLogP3.89
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1,4-bis(tert-butylperoxy)-2-methylpentane?
The IUPAC name of 1,4-bis(tert-butylperoxy)-2-methylpentane (CID 139596778) is 1,4-bis(tert-butylperoxy)-2-methylpentane.
What is the SMILES notation for 1,4-bis(tert-butylperoxy)-2-methylpentane?
The canonical SMILES for 1,4-bis(tert-butylperoxy)-2-methylpentane is CC(COOC(C)(C)C)CC(C)OOC(C)(C)C.
What is the InChIKey of 1,4-bis(tert-butylperoxy)-2-methylpentane?
The InChIKey is QKEMKESGMSHRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4/c1-11(10-15-17-13(3,4)5)9-12(2)16-18-14(6,7)8/h11-12H,9-10H2,1-8H3.
What are the key properties of 1,4-bis(tert-butylperoxy)-2-methylpentane?
1,4-bis(tert-butylperoxy)-2-methylpentane has a molecular weight of 262.39 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(tert-butylperoxy)-2-methylpentane is sourced from PubChem (CID 139596778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).