2-methyl-2-methylperoxypropane

C5H12O2 — CID 13291661

IUPAC2-methyl-2-methylperoxypropane
SMILESCOOC(C)(C)C
InChIInChI=1S/C5H12O2/c1-5(2,3)7-6-4/h1-4H3
InChIKeyYUMSFEDUCCHSIV-UHFFFAOYSA-N
MW104.15 g/mol
LogP1.36
Rot. Bonds1

About 2-methyl-2-methylperoxypropane

2-methyl-2-methylperoxypropane (PubChem CID 13291661) has the molecular formula C5H12O2 and a molecular weight of 104.15 g/mol. Its IUPAC name is 2-methyl-2-methylperoxypropane.

Molecular Properties

Compound Name2-methyl-2-methylperoxypropane
PubChem CID13291661
Molecular FormulaC5H12O2
Molecular Weight104.15 g/mol
Exact Mass104.08
IUPAC Name2-methyl-2-methylperoxypropane
SMILESCOOC(C)(C)C
InChIInChI=1S/C5H12O2/c1-5(2,3)7-6-4/h1-4H3
InChIKeyYUMSFEDUCCHSIV-UHFFFAOYSA-N
XLogP1.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 51.36
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-methyl-2-methylperoxypropane?
The IUPAC name of 2-methyl-2-methylperoxypropane (CID 13291661) is 2-methyl-2-methylperoxypropane.
What is the SMILES notation for 2-methyl-2-methylperoxypropane?
The canonical SMILES for 2-methyl-2-methylperoxypropane is COOC(C)(C)C.
What is the InChIKey of 2-methyl-2-methylperoxypropane?
The InChIKey is YUMSFEDUCCHSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2/c1-5(2,3)7-6-4/h1-4H3.
What are the key properties of 2-methyl-2-methylperoxypropane?
2-methyl-2-methylperoxypropane has a molecular weight of 104.15 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylperoxypropane is sourced from PubChem (CID 13291661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).