[tert-butyl(dimethyl)silyl] but-3-enoate

C10H20O2Si — CID 91701215

IUPAC[tert-butyl(dimethyl)silyl] but-3-enoate
SMILESC=CCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H20O2Si/c1-7-8-9(11)12-13(5,6)10(2,3)4/h7H,1,8H2,2-6H3
InChIKeyACAPMVQJXTXROZ-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.11
Rot. Bonds3

About [tert-butyl(dimethyl)silyl] but-3-enoate

[tert-butyl(dimethyl)silyl] but-3-enoate (PubChem CID 91701215) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] but-3-enoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] but-3-enoate
PubChem CID91701215
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name[tert-butyl(dimethyl)silyl] but-3-enoate
SMILESC=CCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H20O2Si/c1-7-8-9(11)12-13(5,6)10(2,3)4/h7H,1,8H2,2-6H3
InChIKeyACAPMVQJXTXROZ-UHFFFAOYSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Butenoic acid, trimethylsilyl ester
CID 11423736
Trimethylsilyl 4-pentenoate
CID 554477
ethyl (E)-4-trimethylsilylbut-3-enoate
CID 11769253
Tri(propan-2-yl)silyl pent-4-enoate
CID 10735566
Ethyl 2-trimethylsilylbut-3-enoate
CID 13658179
[Tert-butyl(dimethyl)silyl] pent-4-enoate
CID 13678910
Trimethylsilyl-3-trimethylsilylmethyl-3-butenoate
CID 85925864
Methyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate
CID 86174337
Dimethylsilyl vinylacetate
CID 129786125
Ethyl 2-triethylsilylbut-3-enoate
CID 145865774
Trimethylsilyl 3-methylbut-3-enoate
CID 11355767
2-Trimethylsilylpropan-2-yl but-3-enoate
CID 22971902

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] but-3-enoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] but-3-enoate (CID 91701215) is [tert-butyl(dimethyl)silyl] but-3-enoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] but-3-enoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] but-3-enoate is C=CCC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] but-3-enoate?
The InChIKey is ACAPMVQJXTXROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-7-8-9(11)12-13(5,6)10(2,3)4/h7H,1,8H2,2-6H3.
What are the key properties of [tert-butyl(dimethyl)silyl] but-3-enoate?
[tert-butyl(dimethyl)silyl] but-3-enoate has a molecular weight of 200.35 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] but-3-enoate is sourced from PubChem (CID 91701215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).