1,1-bis(tert-butylperoxy)cyclododecane

C20H40O4 — CID 14949973

IUPAC1,1-bis(tert-butylperoxy)cyclododecane
SMILESCC(C)(C)OOC1(OOC(C)(C)C)CCCCCCCCCCC1
InChIInChI=1S/C20H40O4/c1-18(2,3)21-23-20(24-22-19(4,5)6)16-14-12-10-8-7-9-11-13-15-17-20/h7-17H2,1-6H3
InChIKeyOTMBZPVYOQYPBE-UHFFFAOYSA-N
MW344.54 g/mol
LogP6.48
Rot. Bonds4

About 1,1-bis(tert-butylperoxy)cyclododecane

1,1-bis(tert-butylperoxy)cyclododecane (PubChem CID 14949973) has the molecular formula C20H40O4 and a molecular weight of 344.54 g/mol. Its IUPAC name is 1,1-bis(tert-butylperoxy)cyclododecane.

Molecular Properties

Compound Name1,1-bis(tert-butylperoxy)cyclododecane
PubChem CID14949973
Molecular FormulaC20H40O4
Molecular Weight344.54 g/mol
Exact Mass344.29
IUPAC Name1,1-bis(tert-butylperoxy)cyclododecane
SMILESCC(C)(C)OOC1(OOC(C)(C)C)CCCCCCCCCCC1
InChIInChI=1S/C20H40O4/c1-18(2,3)21-23-20(24-22-19(4,5)6)16-14-12-10-8-7-9-11-13-15-17-20/h7-17H2,1-6H3
InChIKeyOTMBZPVYOQYPBE-UHFFFAOYSA-N
XLogP6.48
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.54
LogP ≤ 56.48
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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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(tert-butylperoxy)cyclododecane?
The IUPAC name of 1,1-bis(tert-butylperoxy)cyclododecane (CID 14949973) is 1,1-bis(tert-butylperoxy)cyclododecane.
What is the SMILES notation for 1,1-bis(tert-butylperoxy)cyclododecane?
The canonical SMILES for 1,1-bis(tert-butylperoxy)cyclododecane is CC(C)(C)OOC1(OOC(C)(C)C)CCCCCCCCCCC1.
What is the InChIKey of 1,1-bis(tert-butylperoxy)cyclododecane?
The InChIKey is OTMBZPVYOQYPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O4/c1-18(2,3)21-23-20(24-22-19(4,5)6)16-14-12-10-8-7-9-11-13-15-17-20/h7-17H2,1-6H3.
What are the key properties of 1,1-bis(tert-butylperoxy)cyclododecane?
1,1-bis(tert-butylperoxy)cyclododecane has a molecular weight of 344.54 g/mol, XLogP of 6.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(tert-butylperoxy)cyclododecane is sourced from PubChem (CID 14949973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).