methyl 3-dimethylsilyl-2-methylbut-2-eneperoxoate

C8H16O3Si — CID 175511964

IUPACmethyl 3-dimethylsilyl-2-methylbut-2-eneperoxoate
SMILESCOOC(=O)C(C)=C(C)[SiH](C)C
InChIInChI=1S/C8H16O3Si/c1-6(7(2)12(4)5)8(9)11-10-3/h12H,1-5H3
InChIKeyCKTCQXWOMZWHPG-UHFFFAOYSA-N
MW188.30 g/mol
LogP1.45
Rot. Bonds3

About methyl 3-dimethylsilyl-2-methylbut-2-eneperoxoate

methyl 3-dimethylsilyl-2-methylbut-2-eneperoxoate (PubChem CID 175511964) has the molecular formula C8H16O3Si and a molecular weight of 188.30 g/mol. Its IUPAC name is methyl 3-dimethylsilyl-2-methylbut-2-eneperoxoate.

Molecular Properties

Compound Namemethyl 3-dimethylsilyl-2-methylbut-2-eneperoxoate
PubChem CID175511964
Molecular FormulaC8H16O3Si
Molecular Weight188.30 g/mol
Exact Mass188.09
IUPAC Namemethyl 3-dimethylsilyl-2-methylbut-2-eneperoxoate
SMILESCOOC(=O)C(C)=C(C)[SiH](C)C
InChIInChI=1S/C8H16O3Si/c1-6(7(2)12(4)5)8(9)11-10-3/h12H,1-5H3
InChIKeyCKTCQXWOMZWHPG-UHFFFAOYSA-N
XLogP1.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 51.45
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

λ2-plumbane;methyl ethaneperoxoate
CID 173188596
methane;methyl ethaneperoxoate
CID 158693501
dimethyl (Z)-but-2-enediperoxoate
CID 118352709
cyclopropane;methyl ethaneperoxoate
CID 19892632
dimethyl 2,3-bis(dimethylsilyl)but-2-enedioate
CID 71441586
methoxy hydrogen carbonate
CID 19018247
methoxy carbonofluoridate
CID 172738404
dimethyl 2,3,4,5-tetramethylhexa-2,4-dienedioate
CID 131887550
4-dimethylsilyloxy-3-methylpent-3-en-2-one
CID 123894610
2-fluoroethyl 2-methylperoxy-2-oxoacetate
CID 89415484
butan-1-ol;methyl ethaneperoxoate
CID 88764888
dimethyl but-2-ynediperoxoate
CID 123222506

Frequently Asked Questions

What is the IUPAC name of methyl 3-dimethylsilyl-2-methylbut-2-eneperoxoate?
The IUPAC name of methyl 3-dimethylsilyl-2-methylbut-2-eneperoxoate (CID 175511964) is methyl 3-dimethylsilyl-2-methylbut-2-eneperoxoate.
What is the SMILES notation for methyl 3-dimethylsilyl-2-methylbut-2-eneperoxoate?
The canonical SMILES for methyl 3-dimethylsilyl-2-methylbut-2-eneperoxoate is COOC(=O)C(C)=C(C)[SiH](C)C.
What is the InChIKey of methyl 3-dimethylsilyl-2-methylbut-2-eneperoxoate?
The InChIKey is CKTCQXWOMZWHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3Si/c1-6(7(2)12(4)5)8(9)11-10-3/h12H,1-5H3.
What are the key properties of methyl 3-dimethylsilyl-2-methylbut-2-eneperoxoate?
methyl 3-dimethylsilyl-2-methylbut-2-eneperoxoate has a molecular weight of 188.30 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-dimethylsilyl-2-methylbut-2-eneperoxoate is sourced from PubChem (CID 175511964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).