trimethylsilyl 3-dimethylsilyl-2-methylprop-2-eneperoxoate

C9H20O3Si2 — CID 173394840

IUPACtrimethylsilyl 3-dimethylsilyl-2-methylprop-2-eneperoxoate
SMILESCC(=C[SiH](C)C)C(=O)OO[Si](C)(C)C
InChIInChI=1S/C9H20O3Si2/c1-8(7-13(2)3)9(10)11-12-14(4,5)6/h7,13H,1-6H3
InChIKeyQBHHZCGVUZSMKI-UHFFFAOYSA-N
MW232.43 g/mol
LogP2.27
Rot. Bonds4

About trimethylsilyl 3-dimethylsilyl-2-methylprop-2-eneperoxoate

trimethylsilyl 3-dimethylsilyl-2-methylprop-2-eneperoxoate (PubChem CID 173394840) has the molecular formula C9H20O3Si2 and a molecular weight of 232.43 g/mol. Its IUPAC name is trimethylsilyl 3-dimethylsilyl-2-methylprop-2-eneperoxoate.

Molecular Properties

Compound Nametrimethylsilyl 3-dimethylsilyl-2-methylprop-2-eneperoxoate
PubChem CID173394840
Molecular FormulaC9H20O3Si2
Molecular Weight232.43 g/mol
Exact Mass232.10
IUPAC Nametrimethylsilyl 3-dimethylsilyl-2-methylprop-2-eneperoxoate
SMILESCC(=C[SiH](C)C)C(=O)OO[Si](C)(C)C
InChIInChI=1S/C9H20O3Si2/c1-8(7-13(2)3)9(10)11-12-14(4,5)6/h7,13H,1-6H3
InChIKeyQBHHZCGVUZSMKI-UHFFFAOYSA-N
XLogP2.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.43
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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'}

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Related Compounds

trimethylsilyl 2-methyl-3-silylprop-2-eneperoxoate
CID 175051669
hexyl 3-dimethylsilyl-2-methylprop-2-enoate
CID 174714352
cyclohexyl 3-dimethylsilyl-2-methylprop-2-enoate
CID 174714345
trimethylsilyl 2-methyl-3-trimethylsilyloxyhex-2-eneperoxoate
CID 173459969
trimethylsilyl 2-trimethylsilylethaneperoxoate
CID 22179028
trimethylsilyl (E)-3-phenylprop-2-eneperoxoate
CID 22561457
ethaneperoxoic acid;methoxymethane
CID 87834215
dimethylsilyl 2-methylbut-2-enoate
CID 123251992
[(E)-2-methylbut-2-enoyl]peroxycarbonyl (E)-2-methylbut-2-eneperoxoate
CID 140987479
bis(trimethylsilyl) (E)-2-methylbut-2-enedioate
CID 12598819
[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-methylsilyl] acetate
CID 152618393
[dimethoxy(trimethylsilylmethyl)silyl] 2-methylhexa-2,5-dieneperoxoate
CID 173032273

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 3-dimethylsilyl-2-methylprop-2-eneperoxoate?
The IUPAC name of trimethylsilyl 3-dimethylsilyl-2-methylprop-2-eneperoxoate (CID 173394840) is trimethylsilyl 3-dimethylsilyl-2-methylprop-2-eneperoxoate.
What is the SMILES notation for trimethylsilyl 3-dimethylsilyl-2-methylprop-2-eneperoxoate?
The canonical SMILES for trimethylsilyl 3-dimethylsilyl-2-methylprop-2-eneperoxoate is CC(=C[SiH](C)C)C(=O)OO[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 3-dimethylsilyl-2-methylprop-2-eneperoxoate?
The InChIKey is QBHHZCGVUZSMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3Si2/c1-8(7-13(2)3)9(10)11-12-14(4,5)6/h7,13H,1-6H3.
What are the key properties of trimethylsilyl 3-dimethylsilyl-2-methylprop-2-eneperoxoate?
trimethylsilyl 3-dimethylsilyl-2-methylprop-2-eneperoxoate has a molecular weight of 232.43 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3-dimethylsilyl-2-methylprop-2-eneperoxoate is sourced from PubChem (CID 173394840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).