ethyl (E)-2-(benzenesulfonyl)-5-trimethylsilylpent-3-enoate

C16H24O4SSi — CID 10664899

IUPACethyl (E)-2-(benzenesulfonyl)-5-trimethylsilylpent-3-enoate
SMILESCCOC(=O)C(/C=C/C[Si](C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H24O4SSi/c1-5-20-16(17)15(12-9-13-22(2,3)4)21(18,19)14-10-7-6-8-11-14/h6-12,15H,5,13H2,1-4H3/b12-9+
InChIKeyRSENWDRIZAICGH-FMIVXFBMSA-N
MW340.52 g/mol
LogP3.29
Rot. Bonds7

About ethyl (E)-2-(benzenesulfonyl)-5-trimethylsilylpent-3-enoate

ethyl (E)-2-(benzenesulfonyl)-5-trimethylsilylpent-3-enoate (PubChem CID 10664899) has the molecular formula C16H24O4SSi and a molecular weight of 340.52 g/mol. Its IUPAC name is ethyl (E)-2-(benzenesulfonyl)-5-trimethylsilylpent-3-enoate.

Molecular Properties

Compound Nameethyl (E)-2-(benzenesulfonyl)-5-trimethylsilylpent-3-enoate
PubChem CID10664899
Molecular FormulaC16H24O4SSi
Molecular Weight340.52 g/mol
Exact Mass340.12
IUPAC Nameethyl (E)-2-(benzenesulfonyl)-5-trimethylsilylpent-3-enoate
SMILESCCOC(=O)C(/C=C/C[Si](C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H24O4SSi/c1-5-20-16(17)15(12-9-13-22(2,3)4)21(18,19)14-10-7-6-8-11-14/h6-12,15H,5,13H2,1-4H3/b12-9+
InChIKeyRSENWDRIZAICGH-FMIVXFBMSA-N
XLogP3.29
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.52
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl (phenylsulphonyl)acetate
CID 82078
Methyl phenylsulfonyl acetate
CID 555619
Methyl 3-(phenylsulfonyl)propionate
CID 4193353
Sulfone, 2-acetoxypropyl phenyl
CID 538760
Ethyl 3,3-bis(benzenesulfonyl)propanoate
CID 279787
2-(Benzenesulfonyl)ethyl acetate
CID 44377376
Propanoic acid, 2-oxo-3-(phenylsulfonyl)-, ethyl ester
CID 3042010
2-(benzenesulfonyl)ethyl (E)-oct-2-enoate
CID 44377391
Ethyl 2-fluoro-2-(phenylsulfonyl)acetate
CID 14064388
Methyl 2-(benzenesulfonyl)-2-fluoroacetate
CID 14929166
Ethyl 2-(benzenesulfonyl)propanoate
CID 10728867
Ethyl 3-(phenylsulfonyl)propanoate
CID 14936371

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-(benzenesulfonyl)-5-trimethylsilylpent-3-enoate?
The IUPAC name of ethyl (E)-2-(benzenesulfonyl)-5-trimethylsilylpent-3-enoate (CID 10664899) is ethyl (E)-2-(benzenesulfonyl)-5-trimethylsilylpent-3-enoate.
What is the SMILES notation for ethyl (E)-2-(benzenesulfonyl)-5-trimethylsilylpent-3-enoate?
The canonical SMILES for ethyl (E)-2-(benzenesulfonyl)-5-trimethylsilylpent-3-enoate is CCOC(=O)C(/C=C/C[Si](C)(C)C)S(=O)(=O)c1ccccc1.
What is the InChIKey of ethyl (E)-2-(benzenesulfonyl)-5-trimethylsilylpent-3-enoate?
The InChIKey is RSENWDRIZAICGH-FMIVXFBMSA-N. The full InChI is InChI=1S/C16H24O4SSi/c1-5-20-16(17)15(12-9-13-22(2,3)4)21(18,19)14-10-7-6-8-11-14/h6-12,15H,5,13H2,1-4H3/b12-9+.
What are the key properties of ethyl (E)-2-(benzenesulfonyl)-5-trimethylsilylpent-3-enoate?
ethyl (E)-2-(benzenesulfonyl)-5-trimethylsilylpent-3-enoate has a molecular weight of 340.52 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-(benzenesulfonyl)-5-trimethylsilylpent-3-enoate is sourced from PubChem (CID 10664899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).