[7-(benzenesulfonyl)-3-ethylheptan-3-yl]oxy-trimethylsilane

C18H32O3SSi — CID 19791069

IUPAC[7-(benzenesulfonyl)-3-ethylheptan-3-yl]oxy-trimethylsilane
SMILESCCC(CC)(CCCCS(=O)(=O)c1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C18H32O3SSi/c1-6-18(7-2,21-23(3,4)5)15-11-12-16-22(19,20)17-13-9-8-10-14-17/h8-10,13-14H,6-7,11-12,15-16H2,1-5H3
InChIKeyUQQICHUWLHUQBP-UHFFFAOYSA-N
MW356.60 g/mol
LogP5.04
Rot. Bonds10

About [7-(benzenesulfonyl)-3-ethylheptan-3-yl]oxy-trimethylsilane

[7-(benzenesulfonyl)-3-ethylheptan-3-yl]oxy-trimethylsilane (PubChem CID 19791069) has the molecular formula C18H32O3SSi and a molecular weight of 356.60 g/mol. Its IUPAC name is [7-(benzenesulfonyl)-3-ethylheptan-3-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[7-(benzenesulfonyl)-3-ethylheptan-3-yl]oxy-trimethylsilane
PubChem CID19791069
Molecular FormulaC18H32O3SSi
Molecular Weight356.60 g/mol
Exact Mass356.18
IUPAC Name[7-(benzenesulfonyl)-3-ethylheptan-3-yl]oxy-trimethylsilane
SMILESCCC(CC)(CCCCS(=O)(=O)c1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C18H32O3SSi/c1-6-18(7-2,21-23(3,4)5)15-11-12-16-22(19,20)17-13-9-8-10-14-17/h8-10,13-14H,6-7,11-12,15-16H2,1-5H3
InChIKeyUQQICHUWLHUQBP-UHFFFAOYSA-N
XLogP5.04
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.60
LogP ≤ 55.04
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 [7-(benzenesulfonyl)-3-ethylheptan-3-yl]oxy-trimethylsilane?
The IUPAC name of [7-(benzenesulfonyl)-3-ethylheptan-3-yl]oxy-trimethylsilane (CID 19791069) is [7-(benzenesulfonyl)-3-ethylheptan-3-yl]oxy-trimethylsilane.
What is the SMILES notation for [7-(benzenesulfonyl)-3-ethylheptan-3-yl]oxy-trimethylsilane?
The canonical SMILES for [7-(benzenesulfonyl)-3-ethylheptan-3-yl]oxy-trimethylsilane is CCC(CC)(CCCCS(=O)(=O)c1ccccc1)O[Si](C)(C)C.
What is the InChIKey of [7-(benzenesulfonyl)-3-ethylheptan-3-yl]oxy-trimethylsilane?
The InChIKey is UQQICHUWLHUQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3SSi/c1-6-18(7-2,21-23(3,4)5)15-11-12-16-22(19,20)17-13-9-8-10-14-17/h8-10,13-14H,6-7,11-12,15-16H2,1-5H3.
What are the key properties of [7-(benzenesulfonyl)-3-ethylheptan-3-yl]oxy-trimethylsilane?
[7-(benzenesulfonyl)-3-ethylheptan-3-yl]oxy-trimethylsilane has a molecular weight of 356.60 g/mol, XLogP of 5.04, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(benzenesulfonyl)-3-ethylheptan-3-yl]oxy-trimethylsilane is sourced from PubChem (CID 19791069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).