2-(2,3-dimethylhexan-2-ylperoxy)-2,3-dimethylhexane

C16H34O2 — CID 54266681

IUPAC2-(2,3-dimethylhexan-2-ylperoxy)-2,3-dimethylhexane
SMILESCCCC(C)C(C)(C)OOC(C)(C)C(C)CCC
InChIInChI=1S/C16H34O2/c1-9-11-13(3)15(5,6)17-18-16(7,8)14(4)12-10-2/h13-14H,9-12H2,1-8H3
InChIKeyRHFXPEJYOCZFGN-UHFFFAOYSA-N
MW258.45 g/mol
LogP5.36
Rot. Bonds9

About 2-(2,3-dimethylhexan-2-ylperoxy)-2,3-dimethylhexane

2-(2,3-dimethylhexan-2-ylperoxy)-2,3-dimethylhexane (PubChem CID 54266681) has the molecular formula C16H34O2 and a molecular weight of 258.45 g/mol. Its IUPAC name is 2-(2,3-dimethylhexan-2-ylperoxy)-2,3-dimethylhexane.

Molecular Properties

Compound Name2-(2,3-dimethylhexan-2-ylperoxy)-2,3-dimethylhexane
PubChem CID54266681
Molecular FormulaC16H34O2
Molecular Weight258.45 g/mol
Exact Mass258.26
IUPAC Name2-(2,3-dimethylhexan-2-ylperoxy)-2,3-dimethylhexane
SMILESCCCC(C)C(C)(C)OOC(C)(C)C(C)CCC
InChIInChI=1S/C16H34O2/c1-9-11-13(3)15(5,6)17-18-16(7,8)14(4)12-10-2/h13-14H,9-12H2,1-8H3
InChIKeyRHFXPEJYOCZFGN-UHFFFAOYSA-N
XLogP5.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.45
LogP ≤ 55.36
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-(2,3-dimethylhexan-2-ylperoxy)-2,3-dimethylhexane?
The IUPAC name of 2-(2,3-dimethylhexan-2-ylperoxy)-2,3-dimethylhexane (CID 54266681) is 2-(2,3-dimethylhexan-2-ylperoxy)-2,3-dimethylhexane.
What is the SMILES notation for 2-(2,3-dimethylhexan-2-ylperoxy)-2,3-dimethylhexane?
The canonical SMILES for 2-(2,3-dimethylhexan-2-ylperoxy)-2,3-dimethylhexane is CCCC(C)C(C)(C)OOC(C)(C)C(C)CCC.
What is the InChIKey of 2-(2,3-dimethylhexan-2-ylperoxy)-2,3-dimethylhexane?
The InChIKey is RHFXPEJYOCZFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2/c1-9-11-13(3)15(5,6)17-18-16(7,8)14(4)12-10-2/h13-14H,9-12H2,1-8H3.
What are the key properties of 2-(2,3-dimethylhexan-2-ylperoxy)-2,3-dimethylhexane?
2-(2,3-dimethylhexan-2-ylperoxy)-2,3-dimethylhexane has a molecular weight of 258.45 g/mol, XLogP of 5.36, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylhexan-2-ylperoxy)-2,3-dimethylhexane is sourced from PubChem (CID 54266681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).