[tert-butyl(dimethyl)silyl] 3-methylbutanoate

C11H24O2Si — CID 528095

IUPAC[tert-butyl(dimethyl)silyl] 3-methylbutanoate
SMILESCC(C)CC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O2Si/c1-9(2)8-10(12)13-14(6,7)11(3,4)5/h9H,8H2,1-7H3
InChIKeyOWWNBWBPKVZEOB-UHFFFAOYSA-N
MW216.40 g/mol
LogP3.58
Rot. Bonds3

About [tert-butyl(dimethyl)silyl] 3-methylbutanoate

[tert-butyl(dimethyl)silyl] 3-methylbutanoate (PubChem CID 528095) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 3-methylbutanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 3-methylbutanoate
PubChem CID528095
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Name[tert-butyl(dimethyl)silyl] 3-methylbutanoate
SMILESCC(C)CC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O2Si/c1-9(2)8-10(12)13-14(6,7)11(3,4)5/h9H,8H2,1-7H3
InChIKeyOWWNBWBPKVZEOB-UHFFFAOYSA-N
XLogP3.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [tert-butyl(dimethyl)silyl] 3-methylbutanoate 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] 3-methylbutanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 3-methylbutanoate (CID 528095) is [tert-butyl(dimethyl)silyl] 3-methylbutanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 3-methylbutanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 3-methylbutanoate is CC(C)CC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 3-methylbutanoate?
The InChIKey is OWWNBWBPKVZEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-9(2)8-10(12)13-14(6,7)11(3,4)5/h9H,8H2,1-7H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 3-methylbutanoate?
[tert-butyl(dimethyl)silyl] 3-methylbutanoate has a molecular weight of 216.40 g/mol, XLogP of 3.58, 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] 3-methylbutanoate is sourced from PubChem (CID 528095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).