4-tert-butyl-1,1-bis(methylperoxy)cyclohexane

C12H24O4 — CID 11064300

IUPAC4-tert-butyl-1,1-bis(methylperoxy)cyclohexane
SMILESCOOC1(OOC)CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H24O4/c1-11(2,3)10-6-8-12(9-7-10,15-13-4)16-14-5/h10H,6-9H2,1-5H3
InChIKeyWCDZOIRGIRPDLF-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.08
Rot. Bonds4

About 4-tert-butyl-1,1-bis(methylperoxy)cyclohexane

4-tert-butyl-1,1-bis(methylperoxy)cyclohexane (PubChem CID 11064300) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4-tert-butyl-1,1-bis(methylperoxy)cyclohexane.

Molecular Properties

Compound Name4-tert-butyl-1,1-bis(methylperoxy)cyclohexane
PubChem CID11064300
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name4-tert-butyl-1,1-bis(methylperoxy)cyclohexane
SMILESCOOC1(OOC)CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H24O4/c1-11(2,3)10-6-8-12(9-7-10,15-13-4)16-14-5/h10H,6-9H2,1-5H3
InChIKeyWCDZOIRGIRPDLF-UHFFFAOYSA-N
XLogP3.08
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

3-Tert-butyl-7,8,12,13-tetraoxaspiro[5.7]tridecane
CID 9859655
Peroxide, 1,1'-[4-(1,1-dimethylethyl)cyclohexylidene]bis[2-(1,1-dimethylethyl)
CID 76361
4-Tert-butyl-1,1-dimethoxycyclohexane
CID 10921547
4-tert-Butylcyclohexane-1,1-diperoxol
CID 16750617
(4-Tert-butyl-1-hydroperoxycyclohexyl) ethaneperoxoate
CID 59188726
4-Tert-butyl-1-hydroperoxy-1-methoxycyclohexane
CID 59188729
4-Tert-butyl-1,1-bis(decylperoxy)cyclohexane
CID 71658725
12-Tert-butyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecane
CID 102038641
3,3-Dibutyl-9-tert-butyl-1,2,4,5-tetraoxaspiro[5.5]undecane
CID 102038646
Dihydroperoxyisopropylmethylcyclohexane
CID 139599844
4-Tert-butyl-1-(4-tert-butyl-1-hydroperoxycyclohexyl)peroxy-1-hydroperoxycyclohexane
CID 154714461
1,1-Dihydroperoxy-4-(2-methylbutan-2-yl)cyclohexane
CID 154714550

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,1-bis(methylperoxy)cyclohexane?
The IUPAC name of 4-tert-butyl-1,1-bis(methylperoxy)cyclohexane (CID 11064300) is 4-tert-butyl-1,1-bis(methylperoxy)cyclohexane.
What is the SMILES notation for 4-tert-butyl-1,1-bis(methylperoxy)cyclohexane?
The canonical SMILES for 4-tert-butyl-1,1-bis(methylperoxy)cyclohexane is COOC1(OOC)CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1,1-bis(methylperoxy)cyclohexane?
The InChIKey is WCDZOIRGIRPDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-11(2,3)10-6-8-12(9-7-10,15-13-4)16-14-5/h10H,6-9H2,1-5H3.
What are the key properties of 4-tert-butyl-1,1-bis(methylperoxy)cyclohexane?
4-tert-butyl-1,1-bis(methylperoxy)cyclohexane has a molecular weight of 232.32 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,1-bis(methylperoxy)cyclohexane is sourced from PubChem (CID 11064300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).