2-methyl-2-(2-methylpentan-2-ylperoxy)pentane

C12H26O2 — CID 10910592

IUPAC2-methyl-2-(2-methylpentan-2-ylperoxy)pentane
SMILESCCCC(C)(C)OOC(C)(C)CCC
InChIInChI=1S/C12H26O2/c1-7-9-11(3,4)13-14-12(5,6)10-8-2/h7-10H2,1-6H3
InChIKeyYAQDPWONDFRAHF-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.09
Rot. Bonds7

About 2-methyl-2-(2-methylpentan-2-ylperoxy)pentane

2-methyl-2-(2-methylpentan-2-ylperoxy)pentane (PubChem CID 10910592) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-methyl-2-(2-methylpentan-2-ylperoxy)pentane.

Molecular Properties

Compound Name2-methyl-2-(2-methylpentan-2-ylperoxy)pentane
PubChem CID10910592
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name2-methyl-2-(2-methylpentan-2-ylperoxy)pentane
SMILESCCCC(C)(C)OOC(C)(C)CCC
InChIInChI=1S/C12H26O2/c1-7-9-11(3,4)13-14-12(5,6)10-8-2/h7-10H2,1-6H3
InChIKeyYAQDPWONDFRAHF-UHFFFAOYSA-N
XLogP4.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.09
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-methyl-2-(2-methylpentan-2-ylperoxy)pentane?
The IUPAC name of 2-methyl-2-(2-methylpentan-2-ylperoxy)pentane (CID 10910592) is 2-methyl-2-(2-methylpentan-2-ylperoxy)pentane.
What is the SMILES notation for 2-methyl-2-(2-methylpentan-2-ylperoxy)pentane?
The canonical SMILES for 2-methyl-2-(2-methylpentan-2-ylperoxy)pentane is CCCC(C)(C)OOC(C)(C)CCC.
What is the InChIKey of 2-methyl-2-(2-methylpentan-2-ylperoxy)pentane?
The InChIKey is YAQDPWONDFRAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-7-9-11(3,4)13-14-12(5,6)10-8-2/h7-10H2,1-6H3.
What are the key properties of 2-methyl-2-(2-methylpentan-2-ylperoxy)pentane?
2-methyl-2-(2-methylpentan-2-ylperoxy)pentane has a molecular weight of 202.34 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylpentan-2-ylperoxy)pentane is sourced from PubChem (CID 10910592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).