2,5-bis(tert-butylperoxy)-2,5-dimethyltetradecane

C24H50O4 — CID 175733054

IUPAC2,5-bis(tert-butylperoxy)-2,5-dimethyltetradecane
SMILESCCCCCCCCCC(C)(CCC(C)(C)OOC(C)(C)C)OOC(C)(C)C
InChIInChI=1S/C24H50O4/c1-11-12-13-14-15-16-17-18-24(10,28-26-22(5,6)7)20-19-23(8,9)27-25-21(2,3)4/h11-20H2,1-10H3
InChIKeyUSUFERDADWHLIA-UHFFFAOYSA-N
MW402.66 g/mol
LogP7.94
Rot. Bonds15

About 2,5-bis(tert-butylperoxy)-2,5-dimethyltetradecane

2,5-bis(tert-butylperoxy)-2,5-dimethyltetradecane (PubChem CID 175733054) has the molecular formula C24H50O4 and a molecular weight of 402.66 g/mol. Its IUPAC name is 2,5-bis(tert-butylperoxy)-2,5-dimethyltetradecane.

Molecular Properties

Compound Name2,5-bis(tert-butylperoxy)-2,5-dimethyltetradecane
PubChem CID175733054
Molecular FormulaC24H50O4
Molecular Weight402.66 g/mol
Exact Mass402.37
IUPAC Name2,5-bis(tert-butylperoxy)-2,5-dimethyltetradecane
SMILESCCCCCCCCCC(C)(CCC(C)(C)OOC(C)(C)C)OOC(C)(C)C
InChIInChI=1S/C24H50O4/c1-11-12-13-14-15-16-17-18-24(10,28-26-22(5,6)7)20-19-23(8,9)27-25-21(2,3)4/h11-20H2,1-10H3
InChIKeyUSUFERDADWHLIA-UHFFFAOYSA-N
XLogP7.94
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.66
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

2-tert-butylperoxy-2-methylheptane
CID 21475586
2,7-bis(tert-butylperoxy)-2,7-dimethyloctane
CID 19866769
17-ethylperoxy-17-methyltritriacontane
CID 173208911
2,5-bis(tert-butylperoxy)-2,5,7-trimethyloctane
CID 175767272
dodecanoyl 2-[2,5-bis(tert-butylperoxy)-2,5-dimethylhexyl]dodecaneperoxoate
CID 88613949
dodecane;2-methyl-2-(2-methylbutan-2-ylperoxy)butane
CID 159573008
3-methyl-3-(3-methyloctadecan-3-yloxy)octadecane
CID 141329279
2-methoxyperoxy-2-methyldecane
CID 90108223
2-methoxyperoxy-2-methylnonane
CID 90108222
2-tert-butylperoxy-2,5-dimethyl-5-methylperoxyhexane
CID 58986388
3-methoxy-3-methyldodecane
CID 150409844
9-heptoxy-9-methylhenicosane
CID 91127088

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(tert-butylperoxy)-2,5-dimethyltetradecane?
The IUPAC name of 2,5-bis(tert-butylperoxy)-2,5-dimethyltetradecane (CID 175733054) is 2,5-bis(tert-butylperoxy)-2,5-dimethyltetradecane.
What is the SMILES notation for 2,5-bis(tert-butylperoxy)-2,5-dimethyltetradecane?
The canonical SMILES for 2,5-bis(tert-butylperoxy)-2,5-dimethyltetradecane is CCCCCCCCCC(C)(CCC(C)(C)OOC(C)(C)C)OOC(C)(C)C.
What is the InChIKey of 2,5-bis(tert-butylperoxy)-2,5-dimethyltetradecane?
The InChIKey is USUFERDADWHLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O4/c1-11-12-13-14-15-16-17-18-24(10,28-26-22(5,6)7)20-19-23(8,9)27-25-21(2,3)4/h11-20H2,1-10H3.
What are the key properties of 2,5-bis(tert-butylperoxy)-2,5-dimethyltetradecane?
2,5-bis(tert-butylperoxy)-2,5-dimethyltetradecane has a molecular weight of 402.66 g/mol, XLogP of 7.94, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(tert-butylperoxy)-2,5-dimethyltetradecane is sourced from PubChem (CID 175733054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).