2-methyl-2,5-bis(2-methylbutan-2-ylperoxy)hexane

C17H36O4 — CID 154640882

IUPAC2-methyl-2,5-bis(2-methylbutan-2-ylperoxy)hexane
SMILESCCC(C)(C)OOC(C)CCC(C)(C)OOC(C)(C)CC
InChIInChI=1S/C17H36O4/c1-10-15(4,5)19-18-14(3)12-13-17(8,9)21-20-16(6,7)11-2/h14H,10-13H2,1-9H3
InChIKeyBOFUTNFDHJUEAG-UHFFFAOYSA-N
MW304.47 g/mol
LogP5.21
Rot. Bonds11

About 2-methyl-2,5-bis(2-methylbutan-2-ylperoxy)hexane

2-methyl-2,5-bis(2-methylbutan-2-ylperoxy)hexane (PubChem CID 154640882) has the molecular formula C17H36O4 and a molecular weight of 304.47 g/mol. Its IUPAC name is 2-methyl-2,5-bis(2-methylbutan-2-ylperoxy)hexane.

Molecular Properties

Compound Name2-methyl-2,5-bis(2-methylbutan-2-ylperoxy)hexane
PubChem CID154640882
Molecular FormulaC17H36O4
Molecular Weight304.47 g/mol
Exact Mass304.26
IUPAC Name2-methyl-2,5-bis(2-methylbutan-2-ylperoxy)hexane
SMILESCCC(C)(C)OOC(C)CCC(C)(C)OOC(C)(C)CC
InChIInChI=1S/C17H36O4/c1-10-15(4,5)19-18-14(3)12-13-17(8,9)21-20-16(6,7)11-2/h14H,10-13H2,1-9H3
InChIKeyBOFUTNFDHJUEAG-UHFFFAOYSA-N
XLogP5.21
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 55.21
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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Related Compounds

1-(2-methylbutan-2-ylperoxy)butan-1-ol
CID 141073486
2-[(2R)-2-hydroperoxypentan-2-yl]peroxy-2,5-dimethylhexane
CID 3086102
2,4-dimethyl-3,3-bis(2-methylbutan-2-ylperoxy)pentane
CID 139945228
2-methyl-2-(2-methylpentan-2-ylperoxy)pentane
CID 10910592
2-(1-hydroperoxy-2-methylpropan-2-yl)peroxy-2,5-dimethylhexane
CID 156888040
2,3,4,4,5,6-hexamethyl-2,6-bis(2-methylbutan-2-ylperoxy)heptane
CID 6451505
2-(6,6-dimethyloctan-2-yloxy)-6,6-dimethyloctane
CID 57197870
2-(2-methylbutan-2-ylperoxy)hexanoic acid
CID 22590317
2-(2-methylbutan-2-ylperoxy)heptanoic acid
CID 87434015
2-methylbutan-2-yl 2-methylpropaneperoxoate
CID 54000649
dodecane;2-methyl-2-(2-methylbutan-2-ylperoxy)butane
CID 159573008
3-methyl-5-(2-methylbutan-2-yloxy)pentan-2-ol
CID 90834044

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,5-bis(2-methylbutan-2-ylperoxy)hexane?
The IUPAC name of 2-methyl-2,5-bis(2-methylbutan-2-ylperoxy)hexane (CID 154640882) is 2-methyl-2,5-bis(2-methylbutan-2-ylperoxy)hexane.
What is the SMILES notation for 2-methyl-2,5-bis(2-methylbutan-2-ylperoxy)hexane?
The canonical SMILES for 2-methyl-2,5-bis(2-methylbutan-2-ylperoxy)hexane is CCC(C)(C)OOC(C)CCC(C)(C)OOC(C)(C)CC.
What is the InChIKey of 2-methyl-2,5-bis(2-methylbutan-2-ylperoxy)hexane?
The InChIKey is BOFUTNFDHJUEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O4/c1-10-15(4,5)19-18-14(3)12-13-17(8,9)21-20-16(6,7)11-2/h14H,10-13H2,1-9H3.
What are the key properties of 2-methyl-2,5-bis(2-methylbutan-2-ylperoxy)hexane?
2-methyl-2,5-bis(2-methylbutan-2-ylperoxy)hexane has a molecular weight of 304.47 g/mol, XLogP of 5.21, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,5-bis(2-methylbutan-2-ylperoxy)hexane is sourced from PubChem (CID 154640882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).