[dimethoxy(trimethylsilylmethyl)silyl] 2-methylhexa-2,5-dieneperoxoate

C13H26O5Si2 — CID 173032273

IUPAC[dimethoxy(trimethylsilylmethyl)silyl] 2-methylhexa-2,5-dieneperoxoate
SMILESC=CCC=C(C)C(=O)OO[Si](C[Si](C)(C)C)(OC)OC
InChIInChI=1S/C13H26O5Si2/c1-8-9-10-12(2)13(14)17-18-20(15-3,16-4)11-19(5,6)7/h8,10H,1,9,11H2,2-7H3
InChIKeyWJVZQRGDZBLBPA-UHFFFAOYSA-N
MW318.52 g/mol
LogP3.09
Rot. Bonds9

About [dimethoxy(trimethylsilylmethyl)silyl] 2-methylhexa-2,5-dieneperoxoate

[dimethoxy(trimethylsilylmethyl)silyl] 2-methylhexa-2,5-dieneperoxoate (PubChem CID 173032273) has the molecular formula C13H26O5Si2 and a molecular weight of 318.52 g/mol. Its IUPAC name is [dimethoxy(trimethylsilylmethyl)silyl] 2-methylhexa-2,5-dieneperoxoate.

Molecular Properties

Compound Name[dimethoxy(trimethylsilylmethyl)silyl] 2-methylhexa-2,5-dieneperoxoate
PubChem CID173032273
Molecular FormulaC13H26O5Si2
Molecular Weight318.52 g/mol
Exact Mass318.13
IUPAC Name[dimethoxy(trimethylsilylmethyl)silyl] 2-methylhexa-2,5-dieneperoxoate
SMILESC=CCC=C(C)C(=O)OO[Si](C[Si](C)(C)C)(OC)OC
InChIInChI=1S/C13H26O5Si2/c1-8-9-10-12(2)13(14)17-18-20(15-3,16-4)11-19(5,6)7/h8,10H,1,9,11H2,2-7H3
InChIKeyWJVZQRGDZBLBPA-UHFFFAOYSA-N
XLogP3.09
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.52
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze [dimethoxy(trimethylsilylmethyl)silyl] 2-methylhexa-2,5-dieneperoxoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [dimethoxy(trimethylsilylmethyl)silyl] 2-methylhexa-2,5-dieneperoxoate?
The IUPAC name of [dimethoxy(trimethylsilylmethyl)silyl] 2-methylhexa-2,5-dieneperoxoate (CID 173032273) is [dimethoxy(trimethylsilylmethyl)silyl] 2-methylhexa-2,5-dieneperoxoate.
What is the SMILES notation for [dimethoxy(trimethylsilylmethyl)silyl] 2-methylhexa-2,5-dieneperoxoate?
The canonical SMILES for [dimethoxy(trimethylsilylmethyl)silyl] 2-methylhexa-2,5-dieneperoxoate is C=CCC=C(C)C(=O)OO[Si](C[Si](C)(C)C)(OC)OC.
What is the InChIKey of [dimethoxy(trimethylsilylmethyl)silyl] 2-methylhexa-2,5-dieneperoxoate?
The InChIKey is WJVZQRGDZBLBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5Si2/c1-8-9-10-12(2)13(14)17-18-20(15-3,16-4)11-19(5,6)7/h8,10H,1,9,11H2,2-7H3.
What are the key properties of [dimethoxy(trimethylsilylmethyl)silyl] 2-methylhexa-2,5-dieneperoxoate?
[dimethoxy(trimethylsilylmethyl)silyl] 2-methylhexa-2,5-dieneperoxoate has a molecular weight of 318.52 g/mol, XLogP of 3.09, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethoxy(trimethylsilylmethyl)silyl] 2-methylhexa-2,5-dieneperoxoate is sourced from PubChem (CID 173032273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).