[tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enoate

C11H22O2Si — CID 13040638

IUPAC[tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enoate
SMILESC/C=C(\C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-8-9(2)10(12)13-14(6,7)11(3,4)5/h8H,1-7H3/b9-8+
InChIKeyDYOOAKQETGCZTG-CMDGGOBGSA-N
MW214.38 g/mol
LogP3.50
Rot. Bonds2

About [tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enoate

[tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enoate (PubChem CID 13040638) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enoate
PubChem CID13040638
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name[tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enoate
SMILESC/C=C(\C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-8-9(2)10(12)13-14(6,7)11(3,4)5/h8H,1-7H3/b9-8+
InChIKeyDYOOAKQETGCZTG-CMDGGOBGSA-N
XLogP3.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enoate 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 [tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enoate (CID 13040638) is [tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enoate is C/C=C(\C)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enoate?
The InChIKey is DYOOAKQETGCZTG-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-8-9(2)10(12)13-14(6,7)11(3,4)5/h8H,1-7H3/b9-8+.
What are the key properties of [tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enoate?
[tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enoate has a molecular weight of 214.38 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enoate is sourced from PubChem (CID 13040638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).