2-methyl-2-propan-2-yloxyperoxypropane

C7H16O3 — CID 140575984

IUPAC2-methyl-2-propan-2-yloxyperoxypropane
SMILESCC(C)OOOC(C)(C)C
InChIInChI=1S/C7H16O3/c1-6(2)8-10-9-7(3,4)5/h6H,1-5H3
InChIKeyLYGKQSYSECUJQS-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.07
Rot. Bonds3

About 2-methyl-2-propan-2-yloxyperoxypropane

2-methyl-2-propan-2-yloxyperoxypropane (PubChem CID 140575984) has the molecular formula C7H16O3 and a molecular weight of 148.20 g/mol. Its IUPAC name is 2-methyl-2-propan-2-yloxyperoxypropane.

Molecular Properties

Compound Name2-methyl-2-propan-2-yloxyperoxypropane
PubChem CID140575984
Molecular FormulaC7H16O3
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name2-methyl-2-propan-2-yloxyperoxypropane
SMILESCC(C)OOOC(C)(C)C
InChIInChI=1S/C7H16O3/c1-6(2)8-10-9-7(3,4)5/h6H,1-5H3
InChIKeyLYGKQSYSECUJQS-UHFFFAOYSA-N
XLogP2.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-tert-butylperoxy-2-methylpropane;hydron
CID 174785331
2-(trioxidanylperoxyperoxy)propane
CID 87536389
2-oxidooxyperoxyperoxypropane
CID 18339915
tert-butyl hydrogen carbonate;2-propan-2-ylperoxypropane
CID 90170180
sodium;2-tert-butylperoxy-2-methylpropane;hydride
CID 175059637
tert-butylperoxy nitrite
CID 174427320
2-methyl-2-methylperoxy-1-propan-2-ylperoxypropane
CID 155120201
1,1-bis(tert-butylperoxy)-3,3,5-trimethylhexane
CID 22735014
carbonic acid;2-hydroperoxyperoxy-2-methylpropane
CID 174991534
2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylpropane
CID 87070138
2-propan-2-ylperoxypropan-2-ylcyclohexane
CID 54182101
1,4-bis[(2R)-2-tert-butylperoxypropyl]benzene
CID 134284311

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propan-2-yloxyperoxypropane?
The IUPAC name of 2-methyl-2-propan-2-yloxyperoxypropane (CID 140575984) is 2-methyl-2-propan-2-yloxyperoxypropane.
What is the SMILES notation for 2-methyl-2-propan-2-yloxyperoxypropane?
The canonical SMILES for 2-methyl-2-propan-2-yloxyperoxypropane is CC(C)OOOC(C)(C)C.
What is the InChIKey of 2-methyl-2-propan-2-yloxyperoxypropane?
The InChIKey is LYGKQSYSECUJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3/c1-6(2)8-10-9-7(3,4)5/h6H,1-5H3.
What are the key properties of 2-methyl-2-propan-2-yloxyperoxypropane?
2-methyl-2-propan-2-yloxyperoxypropane has a molecular weight of 148.20 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propan-2-yloxyperoxypropane is sourced from PubChem (CID 140575984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).