ethyl 4-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]benzoate

C20H32O3Si — CID 135008103

IUPACethyl 4-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]benzoate
SMILESCCOC(=O)c1ccc(/C=C/CCCO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C20H32O3Si/c1-7-22-19(21)18-14-12-17(13-15-18)11-9-8-10-16-23-24(5,6)20(2,3)4/h9,11-15H,7-8,10,16H2,1-6H3/b11-9+
InChIKeyMDDSAYLNXHJYST-PKNBQFBNSA-N
MW348.56 g/mol
LogP5.68
Rot. Bonds8

About ethyl 4-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]benzoate

ethyl 4-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]benzoate (PubChem CID 135008103) has the molecular formula C20H32O3Si and a molecular weight of 348.56 g/mol. Its IUPAC name is ethyl 4-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]benzoate
PubChem CID135008103
Molecular FormulaC20H32O3Si
Molecular Weight348.56 g/mol
Exact Mass348.21
IUPAC Nameethyl 4-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]benzoate
SMILESCCOC(=O)c1ccc(/C=C/CCCO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C20H32O3Si/c1-7-22-19(21)18-14-12-17(13-15-18)11-9-8-10-16-23-24(5,6)20(2,3)4/h9,11-15H,7-8,10,16H2,1-6H3/b11-9+
InChIKeyMDDSAYLNXHJYST-PKNBQFBNSA-N
XLogP5.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.56
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 4-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[4-(methylamino)but-1-enyl]benzoate
CID 170496854
ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10826090
ethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 11289003
ethyl 4-[2-(4-methylphenyl)ethenyl]benzoate
CID 176726544
ethyl 4-(4-hydroxypent-1-enyl)benzoate
CID 68918809
tert-butyl (3S,5R)-4-[(E)-6-(4-ethoxycarbonylphenyl)hex-5-enyl]-3,5-dimethylpiperazine-1-carboxylate
CID 134414352
tert-butyl 4-(4-ethoxy-4-oxobut-1-enyl)benzoate
CID 170797047
ethyl 4-(3-acetamidoprop-1-enyl)benzoate
CID 169466574
N-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]benzamide
CID 154719744
ethyl 4-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate
CID 24807327
ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]acetate
CID 10660119
tert-butyl-[(E)-hex-4-enoxy]-dimethylsilane
CID 15936622

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]benzoate?
The IUPAC name of ethyl 4-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]benzoate (CID 135008103) is ethyl 4-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]benzoate.
What is the SMILES notation for ethyl 4-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]benzoate?
The canonical SMILES for ethyl 4-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]benzoate is CCOC(=O)c1ccc(/C=C/CCCO[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of ethyl 4-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]benzoate?
The InChIKey is MDDSAYLNXHJYST-PKNBQFBNSA-N. The full InChI is InChI=1S/C20H32O3Si/c1-7-22-19(21)18-14-12-17(13-15-18)11-9-8-10-16-23-24(5,6)20(2,3)4/h9,11-15H,7-8,10,16H2,1-6H3/b11-9+.
What are the key properties of ethyl 4-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]benzoate?
ethyl 4-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]benzoate has a molecular weight of 348.56 g/mol, XLogP of 5.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]benzoate is sourced from PubChem (CID 135008103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).