ethyl 4-butyl-4-[(E)-2-trimethylsilyloxyethenyl]octanoate

C19H38O3Si — CID 10427517

IUPACethyl 4-butyl-4-[(E)-2-trimethylsilyloxyethenyl]octanoate
SMILESCCCCC(/C=C/O[Si](C)(C)C)(CCCC)CCC(=O)OCC
InChIInChI=1S/C19H38O3Si/c1-7-10-13-19(14-11-8-2,15-12-18(20)21-9-3)16-17-22-23(4,5)6/h16-17H,7-15H2,1-6H3/b17-16+
InChIKeyUYIPREMXRHCOQL-WUKNDPDISA-N
MW342.60 g/mol
LogP6.06
Rot. Bonds13

About ethyl 4-butyl-4-[(E)-2-trimethylsilyloxyethenyl]octanoate

ethyl 4-butyl-4-[(E)-2-trimethylsilyloxyethenyl]octanoate (PubChem CID 10427517) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is ethyl 4-butyl-4-[(E)-2-trimethylsilyloxyethenyl]octanoate.

Molecular Properties

Compound Nameethyl 4-butyl-4-[(E)-2-trimethylsilyloxyethenyl]octanoate
PubChem CID10427517
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Nameethyl 4-butyl-4-[(E)-2-trimethylsilyloxyethenyl]octanoate
SMILESCCCCC(/C=C/O[Si](C)(C)C)(CCCC)CCC(=O)OCC
InChIInChI=1S/C19H38O3Si/c1-7-10-13-19(14-11-8-2,15-12-18(20)21-9-3)16-17-22-23(4,5)6/h16-17H,7-15H2,1-6H3/b17-16+
InChIKeyUYIPREMXRHCOQL-WUKNDPDISA-N
XLogP6.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.60
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze ethyl 4-butyl-4-[(E)-2-trimethylsilyloxyethenyl]octanoate 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 2,6-dimethyl-2-prop-2-enyl-3-triethylsilyloxyhept-6-enoate
CID 10893618
3-Hydroxypropyl-undec-10-enoate, TMS
CID 91749273
Azane;4,4-dipropylheptyl undec-10-enoate
CID 87220290
Azane;3,3-dibutylheptyl undec-10-enoate
CID 87220498
2,2-Dimethylbutyl undec-10-enoate
CID 91440114
Non-8-enyl 10,10-dimethylundecanoate
CID 145763273
Heptyl 2-dimethylsilyl-2-prop-2-enylhexanoate
CID 174788852
Butyl 2-butyl-2-prop-2-enylhexanoate
CID 175251767
Butyl 2-ethenyl-2-octyldecanoate
CID 176900688
ethyl 3-[4-tert-butyl-1-[(E)-2-trimethylsilyloxyethenyl]cyclohexyl]propanoate
CID 10066747
ethyl 1-[(E)-5-trimethylsilylpent-3-enyl]cyclohexane-1-carboxylate
CID 11558443
methyl (E)-13-[tert-butyl(dimethyl)silyl]oxy-10-methylidenetridec-12-enoate
CID 12009561

Frequently Asked Questions

What is the IUPAC name of ethyl 4-butyl-4-[(E)-2-trimethylsilyloxyethenyl]octanoate?
The IUPAC name of ethyl 4-butyl-4-[(E)-2-trimethylsilyloxyethenyl]octanoate (CID 10427517) is ethyl 4-butyl-4-[(E)-2-trimethylsilyloxyethenyl]octanoate.
What is the SMILES notation for ethyl 4-butyl-4-[(E)-2-trimethylsilyloxyethenyl]octanoate?
The canonical SMILES for ethyl 4-butyl-4-[(E)-2-trimethylsilyloxyethenyl]octanoate is CCCCC(/C=C/O[Si](C)(C)C)(CCCC)CCC(=O)OCC.
What is the InChIKey of ethyl 4-butyl-4-[(E)-2-trimethylsilyloxyethenyl]octanoate?
The InChIKey is UYIPREMXRHCOQL-WUKNDPDISA-N. The full InChI is InChI=1S/C19H38O3Si/c1-7-10-13-19(14-11-8-2,15-12-18(20)21-9-3)16-17-22-23(4,5)6/h16-17H,7-15H2,1-6H3/b17-16+.
What are the key properties of ethyl 4-butyl-4-[(E)-2-trimethylsilyloxyethenyl]octanoate?
ethyl 4-butyl-4-[(E)-2-trimethylsilyloxyethenyl]octanoate has a molecular weight of 342.60 g/mol, XLogP of 6.06, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-butyl-4-[(E)-2-trimethylsilyloxyethenyl]octanoate is sourced from PubChem (CID 10427517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).