1,1-bis[(2-methylpropan-2-yl)oxyperoxy]cyclododecane

C20H40O6 — CID 157323257

IUPAC1,1-bis[(2-methylpropan-2-yl)oxyperoxy]cyclododecane
SMILESCC(C)(C)OOOC1(OOOC(C)(C)C)CCCCCCCCCCC1
InChIInChI=1S/C20H40O6/c1-18(2,3)21-25-23-20(24-26-22-19(4,5)6)16-14-12-10-8-7-9-11-13-15-17-20/h7-17H2,1-6H3
InChIKeyBEKNRSSNOZHBNG-UHFFFAOYSA-N
MW376.53 g/mol
LogP6.34
Rot. Bonds6

About 1,1-bis[(2-methylpropan-2-yl)oxyperoxy]cyclododecane

1,1-bis[(2-methylpropan-2-yl)oxyperoxy]cyclododecane (PubChem CID 157323257) has the molecular formula C20H40O6 and a molecular weight of 376.53 g/mol. Its IUPAC name is 1,1-bis[(2-methylpropan-2-yl)oxyperoxy]cyclododecane.

Molecular Properties

Compound Name1,1-bis[(2-methylpropan-2-yl)oxyperoxy]cyclododecane
PubChem CID157323257
Molecular FormulaC20H40O6
Molecular Weight376.53 g/mol
Exact Mass376.28
IUPAC Name1,1-bis[(2-methylpropan-2-yl)oxyperoxy]cyclododecane
SMILESCC(C)(C)OOOC1(OOOC(C)(C)C)CCCCCCCCCCC1
InChIInChI=1S/C20H40O6/c1-18(2,3)21-25-23-20(24-26-22-19(4,5)6)16-14-12-10-8-7-9-11-13-15-17-20/h7-17H2,1-6H3
InChIKeyBEKNRSSNOZHBNG-UHFFFAOYSA-N
XLogP6.34
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.53
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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[(2-methylpropan-2-yl)oxyperoxy]cyclododecane?
The IUPAC name of 1,1-bis[(2-methylpropan-2-yl)oxyperoxy]cyclododecane (CID 157323257) is 1,1-bis[(2-methylpropan-2-yl)oxyperoxy]cyclododecane.
What is the SMILES notation for 1,1-bis[(2-methylpropan-2-yl)oxyperoxy]cyclododecane?
The canonical SMILES for 1,1-bis[(2-methylpropan-2-yl)oxyperoxy]cyclododecane is CC(C)(C)OOOC1(OOOC(C)(C)C)CCCCCCCCCCC1.
What is the InChIKey of 1,1-bis[(2-methylpropan-2-yl)oxyperoxy]cyclododecane?
The InChIKey is BEKNRSSNOZHBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O6/c1-18(2,3)21-25-23-20(24-26-22-19(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[(2-methylpropan-2-yl)oxyperoxy]cyclododecane?
1,1-bis[(2-methylpropan-2-yl)oxyperoxy]cyclododecane has a molecular weight of 376.53 g/mol, XLogP of 6.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis[(2-methylpropan-2-yl)oxyperoxy]cyclododecane is sourced from PubChem (CID 157323257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).