1-(2,2-dimethylpropylperoxy)-2,2-dimethylpropane

C10H22O2 — CID 19076211

IUPAC1-(2,2-dimethylpropylperoxy)-2,2-dimethylpropane
SMILESCC(C)(C)COOCC(C)(C)C
InChIInChI=1S/C10H22O2/c1-9(2,3)7-11-12-8-10(4,5)6/h7-8H2,1-6H3
InChIKeyJEXMEJJLEUHMOZ-UHFFFAOYSA-N
MW174.28 g/mol
LogP3.03
Rot. Bonds3

About 1-(2,2-dimethylpropylperoxy)-2,2-dimethylpropane

1-(2,2-dimethylpropylperoxy)-2,2-dimethylpropane (PubChem CID 19076211) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 1-(2,2-dimethylpropylperoxy)-2,2-dimethylpropane.

Molecular Properties

Compound Name1-(2,2-dimethylpropylperoxy)-2,2-dimethylpropane
PubChem CID19076211
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name1-(2,2-dimethylpropylperoxy)-2,2-dimethylpropane
SMILESCC(C)(C)COOCC(C)(C)C
InChIInChI=1S/C10H22O2/c1-9(2,3)7-11-12-8-10(4,5)6/h7-8H2,1-6H3
InChIKeyJEXMEJJLEUHMOZ-UHFFFAOYSA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 1-(2,2-dimethylpropylperoxy)-2,2-dimethylpropane?
The IUPAC name of 1-(2,2-dimethylpropylperoxy)-2,2-dimethylpropane (CID 19076211) is 1-(2,2-dimethylpropylperoxy)-2,2-dimethylpropane.
What is the SMILES notation for 1-(2,2-dimethylpropylperoxy)-2,2-dimethylpropane?
The canonical SMILES for 1-(2,2-dimethylpropylperoxy)-2,2-dimethylpropane is CC(C)(C)COOCC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropylperoxy)-2,2-dimethylpropane?
The InChIKey is JEXMEJJLEUHMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-9(2,3)7-11-12-8-10(4,5)6/h7-8H2,1-6H3.
What are the key properties of 1-(2,2-dimethylpropylperoxy)-2,2-dimethylpropane?
1-(2,2-dimethylpropylperoxy)-2,2-dimethylpropane has a molecular weight of 174.28 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropylperoxy)-2,2-dimethylpropane is sourced from PubChem (CID 19076211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).