3-methyl-3-(3-methylpentan-3-ylperoxy)pentane

C12H26O2 — CID 19875132

IUPAC3-methyl-3-(3-methylpentan-3-ylperoxy)pentane
SMILESCCC(C)(CC)OOC(C)(CC)CC
InChIInChI=1S/C12H26O2/c1-7-11(5,8-2)13-14-12(6,9-3)10-4/h7-10H2,1-6H3
InChIKeyVQGABIYDHNEEEC-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.09
Rot. Bonds7

About 3-methyl-3-(3-methylpentan-3-ylperoxy)pentane

3-methyl-3-(3-methylpentan-3-ylperoxy)pentane (PubChem CID 19875132) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 3-methyl-3-(3-methylpentan-3-ylperoxy)pentane.

Molecular Properties

Compound Name3-methyl-3-(3-methylpentan-3-ylperoxy)pentane
PubChem CID19875132
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name3-methyl-3-(3-methylpentan-3-ylperoxy)pentane
SMILESCCC(C)(CC)OOC(C)(CC)CC
InChIInChI=1S/C12H26O2/c1-7-11(5,8-2)13-14-12(6,9-3)10-4/h7-10H2,1-6H3
InChIKeyVQGABIYDHNEEEC-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 3-methyl-3-(3-methylpentan-3-ylperoxy)pentane?
The IUPAC name of 3-methyl-3-(3-methylpentan-3-ylperoxy)pentane (CID 19875132) is 3-methyl-3-(3-methylpentan-3-ylperoxy)pentane.
What is the SMILES notation for 3-methyl-3-(3-methylpentan-3-ylperoxy)pentane?
The canonical SMILES for 3-methyl-3-(3-methylpentan-3-ylperoxy)pentane is CCC(C)(CC)OOC(C)(CC)CC.
What is the InChIKey of 3-methyl-3-(3-methylpentan-3-ylperoxy)pentane?
The InChIKey is VQGABIYDHNEEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-7-11(5,8-2)13-14-12(6,9-3)10-4/h7-10H2,1-6H3.
What are the key properties of 3-methyl-3-(3-methylpentan-3-ylperoxy)pentane?
3-methyl-3-(3-methylpentan-3-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 3-methyl-3-(3-methylpentan-3-ylperoxy)pentane is sourced from PubChem (CID 19875132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).