2,3-bis(tert-butylperoxy)-2-methylheptane

C16H34O4 — CID 18626699

IUPAC2,3-bis(tert-butylperoxy)-2-methylheptane
SMILESCCCCC(OOC(C)(C)C)C(C)(C)OOC(C)(C)C
InChIInChI=1S/C16H34O4/c1-10-11-12-13(17-18-14(2,3)4)16(8,9)20-19-15(5,6)7/h13H,10-12H2,1-9H3
InChIKeyZPCKKARBUVRBJU-UHFFFAOYSA-N
MW290.44 g/mol
LogP4.82
Rot. Bonds8

About 2,3-bis(tert-butylperoxy)-2-methylheptane

2,3-bis(tert-butylperoxy)-2-methylheptane (PubChem CID 18626699) has the molecular formula C16H34O4 and a molecular weight of 290.44 g/mol. Its IUPAC name is 2,3-bis(tert-butylperoxy)-2-methylheptane.

Molecular Properties

Compound Name2,3-bis(tert-butylperoxy)-2-methylheptane
PubChem CID18626699
Molecular FormulaC16H34O4
Molecular Weight290.44 g/mol
Exact Mass290.25
IUPAC Name2,3-bis(tert-butylperoxy)-2-methylheptane
SMILESCCCCC(OOC(C)(C)C)C(C)(C)OOC(C)(C)C
InChIInChI=1S/C16H34O4/c1-10-11-12-13(17-18-14(2,3)4)16(8,9)20-19-15(5,6)7/h13H,10-12H2,1-9H3
InChIKeyZPCKKARBUVRBJU-UHFFFAOYSA-N
XLogP4.82
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 54.82
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 2,3-bis(tert-butylperoxy)-2-methylheptane?
The IUPAC name of 2,3-bis(tert-butylperoxy)-2-methylheptane (CID 18626699) is 2,3-bis(tert-butylperoxy)-2-methylheptane.
What is the SMILES notation for 2,3-bis(tert-butylperoxy)-2-methylheptane?
The canonical SMILES for 2,3-bis(tert-butylperoxy)-2-methylheptane is CCCCC(OOC(C)(C)C)C(C)(C)OOC(C)(C)C.
What is the InChIKey of 2,3-bis(tert-butylperoxy)-2-methylheptane?
The InChIKey is ZPCKKARBUVRBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O4/c1-10-11-12-13(17-18-14(2,3)4)16(8,9)20-19-15(5,6)7/h13H,10-12H2,1-9H3.
What are the key properties of 2,3-bis(tert-butylperoxy)-2-methylheptane?
2,3-bis(tert-butylperoxy)-2-methylheptane has a molecular weight of 290.44 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(tert-butylperoxy)-2-methylheptane is sourced from PubChem (CID 18626699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).