4-methyl-2-[4-(4-methyl-1,3,2-dioxaborinan-2-yl)butan-2-ylperoxy]-1,3,2-dioxaborinane

C12H24B2O6 — CID 22497760

IUPAC4-methyl-2-[4-(4-methyl-1,3,2-dioxaborinan-2-yl)butan-2-ylperoxy]-1,3,2-dioxaborinane
SMILESCC(CCB1OCCC(C)O1)OOB1OCCC(C)O1
InChIInChI=1S/C12H24B2O6/c1-10-5-8-15-13(17-10)7-4-12(3)19-20-14-16-9-6-11(2)18-14/h10-12H,4-9H2,1-3H3
InChIKeyDBZSDUAIKAHHLZ-UHFFFAOYSA-N
MW285.94 g/mol
LogP1.84
Rot. Bonds6

About 4-methyl-2-[4-(4-methyl-1,3,2-dioxaborinan-2-yl)butan-2-ylperoxy]-1,3,2-dioxaborinane

4-methyl-2-[4-(4-methyl-1,3,2-dioxaborinan-2-yl)butan-2-ylperoxy]-1,3,2-dioxaborinane (PubChem CID 22497760) has the molecular formula C12H24B2O6 and a molecular weight of 285.94 g/mol. Its IUPAC name is 4-methyl-2-[4-(4-methyl-1,3,2-dioxaborinan-2-yl)butan-2-ylperoxy]-1,3,2-dioxaborinane.

Molecular Properties

Compound Name4-methyl-2-[4-(4-methyl-1,3,2-dioxaborinan-2-yl)butan-2-ylperoxy]-1,3,2-dioxaborinane
PubChem CID22497760
Molecular FormulaC12H24B2O6
Molecular Weight285.94 g/mol
Exact Mass286.18
IUPAC Name4-methyl-2-[4-(4-methyl-1,3,2-dioxaborinan-2-yl)butan-2-ylperoxy]-1,3,2-dioxaborinane
SMILESCC(CCB1OCCC(C)O1)OOB1OCCC(C)O1
InChIInChI=1S/C12H24B2O6/c1-10-5-8-15-13(17-10)7-4-12(3)19-20-14-16-9-6-11(2)18-14/h10-12H,4-9H2,1-3H3
InChIKeyDBZSDUAIKAHHLZ-UHFFFAOYSA-N
XLogP1.84
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.94
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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 4-methyl-2-[4-(4-methyl-1,3,2-dioxaborinan-2-yl)butan-2-ylperoxy]-1,3,2-dioxaborinane?
The IUPAC name of 4-methyl-2-[4-(4-methyl-1,3,2-dioxaborinan-2-yl)butan-2-ylperoxy]-1,3,2-dioxaborinane (CID 22497760) is 4-methyl-2-[4-(4-methyl-1,3,2-dioxaborinan-2-yl)butan-2-ylperoxy]-1,3,2-dioxaborinane.
What is the SMILES notation for 4-methyl-2-[4-(4-methyl-1,3,2-dioxaborinan-2-yl)butan-2-ylperoxy]-1,3,2-dioxaborinane?
The canonical SMILES for 4-methyl-2-[4-(4-methyl-1,3,2-dioxaborinan-2-yl)butan-2-ylperoxy]-1,3,2-dioxaborinane is CC(CCB1OCCC(C)O1)OOB1OCCC(C)O1.
What is the InChIKey of 4-methyl-2-[4-(4-methyl-1,3,2-dioxaborinan-2-yl)butan-2-ylperoxy]-1,3,2-dioxaborinane?
The InChIKey is DBZSDUAIKAHHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24B2O6/c1-10-5-8-15-13(17-10)7-4-12(3)19-20-14-16-9-6-11(2)18-14/h10-12H,4-9H2,1-3H3.
What are the key properties of 4-methyl-2-[4-(4-methyl-1,3,2-dioxaborinan-2-yl)butan-2-ylperoxy]-1,3,2-dioxaborinane?
4-methyl-2-[4-(4-methyl-1,3,2-dioxaborinan-2-yl)butan-2-ylperoxy]-1,3,2-dioxaborinane has a molecular weight of 285.94 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(4-methyl-1,3,2-dioxaborinan-2-yl)butan-2-ylperoxy]-1,3,2-dioxaborinane is sourced from PubChem (CID 22497760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).