ethyl (E)-6-(benzenesulfonyl)-4-[[dimethyl(phenyl)silyl]methyl]hex-5-enoate

C23H30O4SSi — CID 53304615

IUPACethyl (E)-6-(benzenesulfonyl)-4-[[dimethyl(phenyl)silyl]methyl]hex-5-enoate
SMILESCCOC(=O)CCC(/C=C/S(=O)(=O)c1ccccc1)C[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H30O4SSi/c1-4-27-23(24)16-15-20(19-29(2,3)22-13-9-6-10-14-22)17-18-28(25,26)21-11-7-5-8-12-21/h5-14,17-18,20H,4,15-16,19H2,1-3H3/b18-17+
InChIKeyFAIWQBZTPUBRND-ISLYRVAYSA-N
MW430.64 g/mol
LogP4.55
Rot. Bonds10

About ethyl (E)-6-(benzenesulfonyl)-4-[[dimethyl(phenyl)silyl]methyl]hex-5-enoate

ethyl (E)-6-(benzenesulfonyl)-4-[[dimethyl(phenyl)silyl]methyl]hex-5-enoate (PubChem CID 53304615) has the molecular formula C23H30O4SSi and a molecular weight of 430.64 g/mol. Its IUPAC name is ethyl (E)-6-(benzenesulfonyl)-4-[[dimethyl(phenyl)silyl]methyl]hex-5-enoate.

Molecular Properties

Compound Nameethyl (E)-6-(benzenesulfonyl)-4-[[dimethyl(phenyl)silyl]methyl]hex-5-enoate
PubChem CID53304615
Molecular FormulaC23H30O4SSi
Molecular Weight430.64 g/mol
Exact Mass430.16
IUPAC Nameethyl (E)-6-(benzenesulfonyl)-4-[[dimethyl(phenyl)silyl]methyl]hex-5-enoate
SMILESCCOC(=O)CCC(/C=C/S(=O)(=O)c1ccccc1)C[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H30O4SSi/c1-4-27-23(24)16-15-20(19-29(2,3)22-13-9-6-10-14-22)17-18-28(25,26)21-11-7-5-8-12-21/h5-14,17-18,20H,4,15-16,19H2,1-3H3/b18-17+
InChIKeyFAIWQBZTPUBRND-ISLYRVAYSA-N
XLogP4.55
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.64
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (E)-6-(benzenesulfonyl)-4-[[dimethyl(phenyl)silyl]methyl]hex-5-enoate 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

diethyl 2-[(E)-3-(benzenesulfonyl)prop-2-enyl]propanedioate
CID 11279245
methyl (E)-2-(benzenesulfonyl)-5-phenylpent-4-enoate
CID 10616427
Ethyl 2-(benzenesulfonyl)-3-methylbutanoate
CID 15130525
Ethyl 3-[bis(benzenesulfonyl)-fluoromethyl]pentanoate
CID 140119072
methyl (4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 11058149
ethyl (E)-6-[dimethyl(phenyl)silyl]-2-(4-methylphenyl)sulfonylhex-4-enoate
CID 13813438
Methyl 4-(benzenesulfonyl)cyclohex-3-ene-1-carboxylate
CID 13897758
Methyl 3-(benzenesulfonyl)cyclohex-3-ene-1-carboxylate
CID 13897759
methyl (1S,5S)-5-(benzenesulfonyl)cyclohex-3-ene-1-carboxylate
CID 101686029
methyl (3S)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate
CID 102238800
methyl (E)-2-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate
CID 102238807
3-[2,2-Bis(benzenesulfonyl)ethyl]oxolan-2-one
CID 102289011

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-6-(benzenesulfonyl)-4-[[dimethyl(phenyl)silyl]methyl]hex-5-enoate?
The IUPAC name of ethyl (E)-6-(benzenesulfonyl)-4-[[dimethyl(phenyl)silyl]methyl]hex-5-enoate (CID 53304615) is ethyl (E)-6-(benzenesulfonyl)-4-[[dimethyl(phenyl)silyl]methyl]hex-5-enoate.
What is the SMILES notation for ethyl (E)-6-(benzenesulfonyl)-4-[[dimethyl(phenyl)silyl]methyl]hex-5-enoate?
The canonical SMILES for ethyl (E)-6-(benzenesulfonyl)-4-[[dimethyl(phenyl)silyl]methyl]hex-5-enoate is CCOC(=O)CCC(/C=C/S(=O)(=O)c1ccccc1)C[Si](C)(C)c1ccccc1.
What is the InChIKey of ethyl (E)-6-(benzenesulfonyl)-4-[[dimethyl(phenyl)silyl]methyl]hex-5-enoate?
The InChIKey is FAIWQBZTPUBRND-ISLYRVAYSA-N. The full InChI is InChI=1S/C23H30O4SSi/c1-4-27-23(24)16-15-20(19-29(2,3)22-13-9-6-10-14-22)17-18-28(25,26)21-11-7-5-8-12-21/h5-14,17-18,20H,4,15-16,19H2,1-3H3/b18-17+.
What are the key properties of ethyl (E)-6-(benzenesulfonyl)-4-[[dimethyl(phenyl)silyl]methyl]hex-5-enoate?
ethyl (E)-6-(benzenesulfonyl)-4-[[dimethyl(phenyl)silyl]methyl]hex-5-enoate has a molecular weight of 430.64 g/mol, XLogP of 4.55, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-6-(benzenesulfonyl)-4-[[dimethyl(phenyl)silyl]methyl]hex-5-enoate is sourced from PubChem (CID 53304615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).