[silyl(trimethylsilyloxy)methyl] 2-methylbut-2-enoate

C9H20O3Si2 — CID 123793522

IUPAC[silyl(trimethylsilyloxy)methyl] 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)OC([SiH3])O[Si](C)(C)C
InChIInChI=1S/C9H20O3Si2/c1-6-7(2)8(10)11-9(13)12-14(3,4)5/h6,9H,1-5,13H3
InChIKeyXTZXFESJPHKGGY-UHFFFAOYSA-N
MW232.43 g/mol
LogP1.00
Rot. Bonds4

About [silyl(trimethylsilyloxy)methyl] 2-methylbut-2-enoate

[silyl(trimethylsilyloxy)methyl] 2-methylbut-2-enoate (PubChem CID 123793522) has the molecular formula C9H20O3Si2 and a molecular weight of 232.43 g/mol. Its IUPAC name is [silyl(trimethylsilyloxy)methyl] 2-methylbut-2-enoate.

Molecular Properties

Compound Name[silyl(trimethylsilyloxy)methyl] 2-methylbut-2-enoate
PubChem CID123793522
Molecular FormulaC9H20O3Si2
Molecular Weight232.43 g/mol
Exact Mass232.10
IUPAC Name[silyl(trimethylsilyloxy)methyl] 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)OC([SiH3])O[Si](C)(C)C
InChIInChI=1S/C9H20O3Si2/c1-6-7(2)8(10)11-9(13)12-14(3,4)5/h6,9H,1-5,13H3
InChIKeyXTZXFESJPHKGGY-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-acetyloxyethyl (E)-2-methylbut-2-enoate
CID 87922241
bis(trimethylsilyloxy)methyl 2-methyl-4-silylbut-2-enoate
CID 123764813
1,2,2-tris(sulfanyl)ethyl 2-methylbut-2-enoate
CID 173491072
1-hydroxypropyl 2-methylbut-2-enoate
CID 174401759
[(E)-2-methylbut-2-enoyl]peroxycarbonyl (E)-2-methylbut-2-eneperoxoate
CID 140987479
bis(trimethylsilyl)methyl 2-methyl-3-silylprop-2-enoate
CID 175386649
1-[(E)-2-methylbut-2-enoyl]oxyethylphosphonic acid
CID 142670732
ethyl 3-methyl-2-[(Z)-2-methylbut-2-enoyl]oxybutanoate
CID 173476310
1,3-dihydroxybutyl (E)-2-methylbut-2-enoate
CID 88666656
4-hydroxypentan-2-yl 2-methylbut-2-enoate
CID 91259423
1-[(2-methylpropan-2-yl)oxy]propan-2-yl (E)-2-methylbut-2-enoate
CID 91698187
trimethylsilyl 4,5-dihydroxy-2-methylpent-2-enoate
CID 87381108

Frequently Asked Questions

What is the IUPAC name of [silyl(trimethylsilyloxy)methyl] 2-methylbut-2-enoate?
The IUPAC name of [silyl(trimethylsilyloxy)methyl] 2-methylbut-2-enoate (CID 123793522) is [silyl(trimethylsilyloxy)methyl] 2-methylbut-2-enoate.
What is the SMILES notation for [silyl(trimethylsilyloxy)methyl] 2-methylbut-2-enoate?
The canonical SMILES for [silyl(trimethylsilyloxy)methyl] 2-methylbut-2-enoate is CC=C(C)C(=O)OC([SiH3])O[Si](C)(C)C.
What is the InChIKey of [silyl(trimethylsilyloxy)methyl] 2-methylbut-2-enoate?
The InChIKey is XTZXFESJPHKGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3Si2/c1-6-7(2)8(10)11-9(13)12-14(3,4)5/h6,9H,1-5,13H3.
What are the key properties of [silyl(trimethylsilyloxy)methyl] 2-methylbut-2-enoate?
[silyl(trimethylsilyloxy)methyl] 2-methylbut-2-enoate has a molecular weight of 232.43 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [silyl(trimethylsilyloxy)methyl] 2-methylbut-2-enoate is sourced from PubChem (CID 123793522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).