2-methyl-2-methylperoxy-1-propan-2-ylperoxypropane

C8H18O4 — CID 155120201

IUPAC2-methyl-2-methylperoxy-1-propan-2-ylperoxypropane
SMILESCOOC(C)(C)COOC(C)C
InChIInChI=1S/C8H18O4/c1-7(2)11-10-6-8(3,4)12-9-5/h7H,6H2,1-5H3
InChIKeyGCMYIINXDWZLSW-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.70
Rot. Bonds6

About 2-methyl-2-methylperoxy-1-propan-2-ylperoxypropane

2-methyl-2-methylperoxy-1-propan-2-ylperoxypropane (PubChem CID 155120201) has the molecular formula C8H18O4 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-methyl-2-methylperoxy-1-propan-2-ylperoxypropane.

Molecular Properties

Compound Name2-methyl-2-methylperoxy-1-propan-2-ylperoxypropane
PubChem CID155120201
Molecular FormulaC8H18O4
Molecular Weight178.23 g/mol
Exact Mass178.12
IUPAC Name2-methyl-2-methylperoxy-1-propan-2-ylperoxypropane
SMILESCOOC(C)(C)COOC(C)C
InChIInChI=1S/C8H18O4/c1-7(2)11-10-6-8(3,4)12-9-5/h7H,6H2,1-5H3
InChIKeyGCMYIINXDWZLSW-UHFFFAOYSA-N
XLogP1.70
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.70
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylperoxy-1-propan-2-ylperoxypropane?
The IUPAC name of 2-methyl-2-methylperoxy-1-propan-2-ylperoxypropane (CID 155120201) is 2-methyl-2-methylperoxy-1-propan-2-ylperoxypropane.
What is the SMILES notation for 2-methyl-2-methylperoxy-1-propan-2-ylperoxypropane?
The canonical SMILES for 2-methyl-2-methylperoxy-1-propan-2-ylperoxypropane is COOC(C)(C)COOC(C)C.
What is the InChIKey of 2-methyl-2-methylperoxy-1-propan-2-ylperoxypropane?
The InChIKey is GCMYIINXDWZLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4/c1-7(2)11-10-6-8(3,4)12-9-5/h7H,6H2,1-5H3.
What are the key properties of 2-methyl-2-methylperoxy-1-propan-2-ylperoxypropane?
2-methyl-2-methylperoxy-1-propan-2-ylperoxypropane has a molecular weight of 178.23 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylperoxy-1-propan-2-ylperoxypropane is sourced from PubChem (CID 155120201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).