2-tert-butylperoxy-2,4,4-trimethylpentane

C12H26O2 — CID 3020458

IUPAC2-tert-butylperoxy-2,4,4-trimethylpentane
SMILESCC(C)(C)CC(C)(C)OOC(C)(C)C
InChIInChI=1S/C12H26O2/c1-10(2,3)9-12(7,8)14-13-11(4,5)6/h9H2,1-8H3
InChIKeyPOHYRDMTJGJYHH-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.95
Rot. Bonds3

About 2-tert-butylperoxy-2,4,4-trimethylpentane

2-tert-butylperoxy-2,4,4-trimethylpentane (PubChem CID 3020458) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-tert-butylperoxy-2,4,4-trimethylpentane.

Molecular Properties

Compound Name2-tert-butylperoxy-2,4,4-trimethylpentane
PubChem CID3020458
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name2-tert-butylperoxy-2,4,4-trimethylpentane
SMILESCC(C)(C)CC(C)(C)OOC(C)(C)C
InChIInChI=1S/C12H26O2/c1-10(2,3)9-12(7,8)14-13-11(4,5)6/h9H2,1-8H3
InChIKeyPOHYRDMTJGJYHH-UHFFFAOYSA-N
XLogP3.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.95
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-2,4,4-trimethylpentane?
The IUPAC name of 2-tert-butylperoxy-2,4,4-trimethylpentane (CID 3020458) is 2-tert-butylperoxy-2,4,4-trimethylpentane.
What is the SMILES notation for 2-tert-butylperoxy-2,4,4-trimethylpentane?
The canonical SMILES for 2-tert-butylperoxy-2,4,4-trimethylpentane is CC(C)(C)CC(C)(C)OOC(C)(C)C.
What is the InChIKey of 2-tert-butylperoxy-2,4,4-trimethylpentane?
The InChIKey is POHYRDMTJGJYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-10(2,3)9-12(7,8)14-13-11(4,5)6/h9H2,1-8H3.
What are the key properties of 2-tert-butylperoxy-2,4,4-trimethylpentane?
2-tert-butylperoxy-2,4,4-trimethylpentane has a molecular weight of 202.34 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylperoxy-2,4,4-trimethylpentane is sourced from PubChem (CID 3020458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).