(2,5-dimethyl-5-trimethylsilylperoxyhex-3-yn-2-yl)peroxy-trimethylsilane

C14H30O4Si2 — CID 22571192

IUPAC(2,5-dimethyl-5-trimethylsilylperoxyhex-3-yn-2-yl)peroxy-trimethylsilane
SMILESCC(C)(C#CC(C)(C)OO[Si](C)(C)C)OO[Si](C)(C)C
InChIInChI=1S/C14H30O4Si2/c1-13(2,15-17-19(5,6)7)11-12-14(3,4)16-18-20(8,9)10/h1-10H3
InChIKeyYYALBQFTDCFOKZ-UHFFFAOYSA-N
MW318.56 g/mol
LogP4.11
Rot. Bonds6

About (2,5-dimethyl-5-trimethylsilylperoxyhex-3-yn-2-yl)peroxy-trimethylsilane

(2,5-dimethyl-5-trimethylsilylperoxyhex-3-yn-2-yl)peroxy-trimethylsilane (PubChem CID 22571192) has the molecular formula C14H30O4Si2 and a molecular weight of 318.56 g/mol. Its IUPAC name is (2,5-dimethyl-5-trimethylsilylperoxyhex-3-yn-2-yl)peroxy-trimethylsilane.

Molecular Properties

Compound Name(2,5-dimethyl-5-trimethylsilylperoxyhex-3-yn-2-yl)peroxy-trimethylsilane
PubChem CID22571192
Molecular FormulaC14H30O4Si2
Molecular Weight318.56 g/mol
Exact Mass318.17
IUPAC Name(2,5-dimethyl-5-trimethylsilylperoxyhex-3-yn-2-yl)peroxy-trimethylsilane
SMILESCC(C)(C#CC(C)(C)OO[Si](C)(C)C)OO[Si](C)(C)C
InChIInChI=1S/C14H30O4Si2/c1-13(2,15-17-19(5,6)7)11-12-14(3,4)16-18-20(8,9)10/h1-10H3
InChIKeyYYALBQFTDCFOKZ-UHFFFAOYSA-N
XLogP4.11
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.56
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-5-trimethylsilylperoxyhex-3-yn-2-yl)peroxy-trimethylsilane?
The IUPAC name of (2,5-dimethyl-5-trimethylsilylperoxyhex-3-yn-2-yl)peroxy-trimethylsilane (CID 22571192) is (2,5-dimethyl-5-trimethylsilylperoxyhex-3-yn-2-yl)peroxy-trimethylsilane.
What is the SMILES notation for (2,5-dimethyl-5-trimethylsilylperoxyhex-3-yn-2-yl)peroxy-trimethylsilane?
The canonical SMILES for (2,5-dimethyl-5-trimethylsilylperoxyhex-3-yn-2-yl)peroxy-trimethylsilane is CC(C)(C#CC(C)(C)OO[Si](C)(C)C)OO[Si](C)(C)C.
What is the InChIKey of (2,5-dimethyl-5-trimethylsilylperoxyhex-3-yn-2-yl)peroxy-trimethylsilane?
The InChIKey is YYALBQFTDCFOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4Si2/c1-13(2,15-17-19(5,6)7)11-12-14(3,4)16-18-20(8,9)10/h1-10H3.
What are the key properties of (2,5-dimethyl-5-trimethylsilylperoxyhex-3-yn-2-yl)peroxy-trimethylsilane?
(2,5-dimethyl-5-trimethylsilylperoxyhex-3-yn-2-yl)peroxy-trimethylsilane has a molecular weight of 318.56 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-5-trimethylsilylperoxyhex-3-yn-2-yl)peroxy-trimethylsilane is sourced from PubChem (CID 22571192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).