[1-[2-(benzenesulfonyl)ethyl]cyclopentyl]oxy-triethylsilane

C19H32O3SSi — CID 14102001

IUPAC[1-[2-(benzenesulfonyl)ethyl]cyclopentyl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)OC1(CCS(=O)(=O)c2ccccc2)CCCC1
InChIInChI=1S/C19H32O3SSi/c1-4-24(5-2,6-3)22-19(14-10-11-15-19)16-17-23(20,21)18-12-8-7-9-13-18/h7-9,12-13H,4-6,10-11,14-17H2,1-3H3
InChIKeyMETSGXHVNKFTKD-UHFFFAOYSA-N
MW368.62 g/mol
LogP5.18
Rot. Bonds9

About [1-[2-(benzenesulfonyl)ethyl]cyclopentyl]oxy-triethylsilane

[1-[2-(benzenesulfonyl)ethyl]cyclopentyl]oxy-triethylsilane (PubChem CID 14102001) has the molecular formula C19H32O3SSi and a molecular weight of 368.62 g/mol. Its IUPAC name is [1-[2-(benzenesulfonyl)ethyl]cyclopentyl]oxy-triethylsilane.

Molecular Properties

Compound Name[1-[2-(benzenesulfonyl)ethyl]cyclopentyl]oxy-triethylsilane
PubChem CID14102001
Molecular FormulaC19H32O3SSi
Molecular Weight368.62 g/mol
Exact Mass368.18
IUPAC Name[1-[2-(benzenesulfonyl)ethyl]cyclopentyl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)OC1(CCS(=O)(=O)c2ccccc2)CCCC1
InChIInChI=1S/C19H32O3SSi/c1-4-24(5-2,6-3)22-19(14-10-11-15-19)16-17-23(20,21)18-12-8-7-9-13-18/h7-9,12-13H,4-6,10-11,14-17H2,1-3H3
InChIKeyMETSGXHVNKFTKD-UHFFFAOYSA-N
XLogP5.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.62
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(benzenesulfonyl)ethyl]cyclopentyl]oxy-triethylsilane?
The IUPAC name of [1-[2-(benzenesulfonyl)ethyl]cyclopentyl]oxy-triethylsilane (CID 14102001) is [1-[2-(benzenesulfonyl)ethyl]cyclopentyl]oxy-triethylsilane.
What is the SMILES notation for [1-[2-(benzenesulfonyl)ethyl]cyclopentyl]oxy-triethylsilane?
The canonical SMILES for [1-[2-(benzenesulfonyl)ethyl]cyclopentyl]oxy-triethylsilane is CC[Si](CC)(CC)OC1(CCS(=O)(=O)c2ccccc2)CCCC1.
What is the InChIKey of [1-[2-(benzenesulfonyl)ethyl]cyclopentyl]oxy-triethylsilane?
The InChIKey is METSGXHVNKFTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O3SSi/c1-4-24(5-2,6-3)22-19(14-10-11-15-19)16-17-23(20,21)18-12-8-7-9-13-18/h7-9,12-13H,4-6,10-11,14-17H2,1-3H3.
What are the key properties of [1-[2-(benzenesulfonyl)ethyl]cyclopentyl]oxy-triethylsilane?
[1-[2-(benzenesulfonyl)ethyl]cyclopentyl]oxy-triethylsilane has a molecular weight of 368.62 g/mol, XLogP of 5.18, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(benzenesulfonyl)ethyl]cyclopentyl]oxy-triethylsilane is sourced from PubChem (CID 14102001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).