[4-[(E)-2-(benzenesulfonyl)ethenoxy]-4-phenylbutoxy]-tert-butyl-dimethylsilane

C24H34O4SSi — CID 10527376

IUPAC[4-[(E)-2-(benzenesulfonyl)ethenoxy]-4-phenylbutoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCC(O/C=C/S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H34O4SSi/c1-24(2,3)30(4,5)28-18-12-17-23(21-13-8-6-9-14-21)27-19-20-29(25,26)22-15-10-7-11-16-22/h6-11,13-16,19-20,23H,12,17-18H2,1-5H3/b20-19+
InChIKeyMGDOOYDDVPJMHK-FMQUCBEESA-N
MW446.69 g/mol
LogP6.49
Rot. Bonds10

About [4-[(E)-2-(benzenesulfonyl)ethenoxy]-4-phenylbutoxy]-tert-butyl-dimethylsilane

[4-[(E)-2-(benzenesulfonyl)ethenoxy]-4-phenylbutoxy]-tert-butyl-dimethylsilane (PubChem CID 10527376) has the molecular formula C24H34O4SSi and a molecular weight of 446.69 g/mol. Its IUPAC name is [4-[(E)-2-(benzenesulfonyl)ethenoxy]-4-phenylbutoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[4-[(E)-2-(benzenesulfonyl)ethenoxy]-4-phenylbutoxy]-tert-butyl-dimethylsilane
PubChem CID10527376
Molecular FormulaC24H34O4SSi
Molecular Weight446.69 g/mol
Exact Mass446.19
IUPAC Name[4-[(E)-2-(benzenesulfonyl)ethenoxy]-4-phenylbutoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCC(O/C=C/S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H34O4SSi/c1-24(2,3)30(4,5)28-18-12-17-23(21-13-8-6-9-14-21)27-19-20-29(25,26)22-15-10-7-11-16-22/h6-11,13-16,19-20,23H,12,17-18H2,1-5H3/b20-19+
InChIKeyMGDOOYDDVPJMHK-FMQUCBEESA-N
XLogP6.49
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.69
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-(benzenesulfonyl)ethenoxy]-4-phenylbutoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [4-[(E)-2-(benzenesulfonyl)ethenoxy]-4-phenylbutoxy]-tert-butyl-dimethylsilane (CID 10527376) is [4-[(E)-2-(benzenesulfonyl)ethenoxy]-4-phenylbutoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [4-[(E)-2-(benzenesulfonyl)ethenoxy]-4-phenylbutoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [4-[(E)-2-(benzenesulfonyl)ethenoxy]-4-phenylbutoxy]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCCCC(O/C=C/S(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [4-[(E)-2-(benzenesulfonyl)ethenoxy]-4-phenylbutoxy]-tert-butyl-dimethylsilane?
The InChIKey is MGDOOYDDVPJMHK-FMQUCBEESA-N. The full InChI is InChI=1S/C24H34O4SSi/c1-24(2,3)30(4,5)28-18-12-17-23(21-13-8-6-9-14-21)27-19-20-29(25,26)22-15-10-7-11-16-22/h6-11,13-16,19-20,23H,12,17-18H2,1-5H3/b20-19+.
What are the key properties of [4-[(E)-2-(benzenesulfonyl)ethenoxy]-4-phenylbutoxy]-tert-butyl-dimethylsilane?
[4-[(E)-2-(benzenesulfonyl)ethenoxy]-4-phenylbutoxy]-tert-butyl-dimethylsilane has a molecular weight of 446.69 g/mol, XLogP of 6.49, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-(benzenesulfonyl)ethenoxy]-4-phenylbutoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 10527376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).