[6-(benzenesulfonyl)-2-methylhexan-2-yl]oxy-triethylsilane

C19H34O3SSi — CID 14101984

IUPAC[6-(benzenesulfonyl)-2-methylhexan-2-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)OC(C)(C)CCCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H34O3SSi/c1-6-24(7-2,8-3)22-19(4,5)16-12-13-17-23(20,21)18-14-10-9-11-15-18/h9-11,14-15H,6-8,12-13,16-17H2,1-5H3
InChIKeyFXNYKFXXUYPGHZ-UHFFFAOYSA-N
MW370.63 g/mol
LogP5.43
Rot. Bonds11

About [6-(benzenesulfonyl)-2-methylhexan-2-yl]oxy-triethylsilane

[6-(benzenesulfonyl)-2-methylhexan-2-yl]oxy-triethylsilane (PubChem CID 14101984) has the molecular formula C19H34O3SSi and a molecular weight of 370.63 g/mol. Its IUPAC name is [6-(benzenesulfonyl)-2-methylhexan-2-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[6-(benzenesulfonyl)-2-methylhexan-2-yl]oxy-triethylsilane
PubChem CID14101984
Molecular FormulaC19H34O3SSi
Molecular Weight370.63 g/mol
Exact Mass370.20
IUPAC Name[6-(benzenesulfonyl)-2-methylhexan-2-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)OC(C)(C)CCCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H34O3SSi/c1-6-24(7-2,8-3)22-19(4,5)16-12-13-17-23(20,21)18-14-10-9-11-15-18/h9-11,14-15H,6-8,12-13,16-17H2,1-5H3
InChIKeyFXNYKFXXUYPGHZ-UHFFFAOYSA-N
XLogP5.43
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.63
LogP ≤ 55.43
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'}

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Frequently Asked Questions

What is the IUPAC name of [6-(benzenesulfonyl)-2-methylhexan-2-yl]oxy-triethylsilane?
The IUPAC name of [6-(benzenesulfonyl)-2-methylhexan-2-yl]oxy-triethylsilane (CID 14101984) is [6-(benzenesulfonyl)-2-methylhexan-2-yl]oxy-triethylsilane.
What is the SMILES notation for [6-(benzenesulfonyl)-2-methylhexan-2-yl]oxy-triethylsilane?
The canonical SMILES for [6-(benzenesulfonyl)-2-methylhexan-2-yl]oxy-triethylsilane is CC[Si](CC)(CC)OC(C)(C)CCCCS(=O)(=O)c1ccccc1.
What is the InChIKey of [6-(benzenesulfonyl)-2-methylhexan-2-yl]oxy-triethylsilane?
The InChIKey is FXNYKFXXUYPGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O3SSi/c1-6-24(7-2,8-3)22-19(4,5)16-12-13-17-23(20,21)18-14-10-9-11-15-18/h9-11,14-15H,6-8,12-13,16-17H2,1-5H3.
What are the key properties of [6-(benzenesulfonyl)-2-methylhexan-2-yl]oxy-triethylsilane?
[6-(benzenesulfonyl)-2-methylhexan-2-yl]oxy-triethylsilane has a molecular weight of 370.63 g/mol, XLogP of 5.43, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(benzenesulfonyl)-2-methylhexan-2-yl]oxy-triethylsilane is sourced from PubChem (CID 14101984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).