[1-[1-(benzenesulfonyl)propan-2-yl]cyclopentyl]oxy-triethylsilane

C20H34O3SSi — CID 18985959

IUPAC[1-[1-(benzenesulfonyl)propan-2-yl]cyclopentyl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)OC1(C(C)CS(=O)(=O)c2ccccc2)CCCC1
InChIInChI=1S/C20H34O3SSi/c1-5-25(6-2,7-3)23-20(15-11-12-16-20)18(4)17-24(21,22)19-13-9-8-10-14-19/h8-10,13-14,18H,5-7,11-12,15-17H2,1-4H3
InChIKeyKXLHWKMNZPEDML-UHFFFAOYSA-N
MW382.64 g/mol
LogP5.43
Rot. Bonds9

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

[1-[1-(benzenesulfonyl)propan-2-yl]cyclopentyl]oxy-triethylsilane (PubChem CID 18985959) has the molecular formula C20H34O3SSi and a molecular weight of 382.64 g/mol. Its IUPAC name is [1-[1-(benzenesulfonyl)propan-2-yl]cyclopentyl]oxy-triethylsilane.

Molecular Properties

Compound Name[1-[1-(benzenesulfonyl)propan-2-yl]cyclopentyl]oxy-triethylsilane
PubChem CID18985959
Molecular FormulaC20H34O3SSi
Molecular Weight382.64 g/mol
Exact Mass382.20
IUPAC Name[1-[1-(benzenesulfonyl)propan-2-yl]cyclopentyl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)OC1(C(C)CS(=O)(=O)c2ccccc2)CCCC1
InChIInChI=1S/C20H34O3SSi/c1-5-25(6-2,7-3)23-20(15-11-12-16-20)18(4)17-24(21,22)19-13-9-8-10-14-19/h8-10,13-14,18H,5-7,11-12,15-17H2,1-4H3
InChIKeyKXLHWKMNZPEDML-UHFFFAOYSA-N
XLogP5.43
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.64
LogP ≤ 55.43
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-[1-(benzenesulfonyl)propan-2-yl]cyclopentyl]oxy-triethylsilane?
The IUPAC name of [1-[1-(benzenesulfonyl)propan-2-yl]cyclopentyl]oxy-triethylsilane (CID 18985959) is [1-[1-(benzenesulfonyl)propan-2-yl]cyclopentyl]oxy-triethylsilane.
What is the SMILES notation for [1-[1-(benzenesulfonyl)propan-2-yl]cyclopentyl]oxy-triethylsilane?
The canonical SMILES for [1-[1-(benzenesulfonyl)propan-2-yl]cyclopentyl]oxy-triethylsilane is CC[Si](CC)(CC)OC1(C(C)CS(=O)(=O)c2ccccc2)CCCC1.
What is the InChIKey of [1-[1-(benzenesulfonyl)propan-2-yl]cyclopentyl]oxy-triethylsilane?
The InChIKey is KXLHWKMNZPEDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O3SSi/c1-5-25(6-2,7-3)23-20(15-11-12-16-20)18(4)17-24(21,22)19-13-9-8-10-14-19/h8-10,13-14,18H,5-7,11-12,15-17H2,1-4H3.
What are the key properties of [1-[1-(benzenesulfonyl)propan-2-yl]cyclopentyl]oxy-triethylsilane?
[1-[1-(benzenesulfonyl)propan-2-yl]cyclopentyl]oxy-triethylsilane has a molecular weight of 382.64 g/mol, XLogP of 5.43, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(benzenesulfonyl)propan-2-yl]cyclopentyl]oxy-triethylsilane is sourced from PubChem (CID 18985959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).