7-(benzenesulfonyl)heptan-2-yloxy-triethylsilane

C19H34O3SSi — CID 70348759

IUPAC7-(benzenesulfonyl)heptan-2-yloxy-triethylsilane
SMILESCC[Si](CC)(CC)OC(C)CCCCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H34O3SSi/c1-5-24(6-2,7-3)22-18(4)14-10-9-13-17-23(20,21)19-15-11-8-12-16-19/h8,11-12,15-16,18H,5-7,9-10,13-14,17H2,1-4H3
InChIKeyDIYDXZFAKSWZFG-UHFFFAOYSA-N
MW370.63 g/mol
LogP5.43
Rot. Bonds12

About 7-(benzenesulfonyl)heptan-2-yloxy-triethylsilane

7-(benzenesulfonyl)heptan-2-yloxy-triethylsilane (PubChem CID 70348759) has the molecular formula C19H34O3SSi and a molecular weight of 370.63 g/mol. Its IUPAC name is 7-(benzenesulfonyl)heptan-2-yloxy-triethylsilane.

Molecular Properties

Compound Name7-(benzenesulfonyl)heptan-2-yloxy-triethylsilane
PubChem CID70348759
Molecular FormulaC19H34O3SSi
Molecular Weight370.63 g/mol
Exact Mass370.20
IUPAC Name7-(benzenesulfonyl)heptan-2-yloxy-triethylsilane
SMILESCC[Si](CC)(CC)OC(C)CCCCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H34O3SSi/c1-5-24(6-2,7-3)22-18(4)14-10-9-13-17-23(20,21)19-15-11-8-12-16-19/h8,11-12,15-16,18H,5-7,9-10,13-14,17H2,1-4H3
InChIKeyDIYDXZFAKSWZFG-UHFFFAOYSA-N
XLogP5.43
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
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 7-(benzenesulfonyl)heptan-2-yloxy-triethylsilane?
The IUPAC name of 7-(benzenesulfonyl)heptan-2-yloxy-triethylsilane (CID 70348759) is 7-(benzenesulfonyl)heptan-2-yloxy-triethylsilane.
What is the SMILES notation for 7-(benzenesulfonyl)heptan-2-yloxy-triethylsilane?
The canonical SMILES for 7-(benzenesulfonyl)heptan-2-yloxy-triethylsilane is CC[Si](CC)(CC)OC(C)CCCCCS(=O)(=O)c1ccccc1.
What is the InChIKey of 7-(benzenesulfonyl)heptan-2-yloxy-triethylsilane?
The InChIKey is DIYDXZFAKSWZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O3SSi/c1-5-24(6-2,7-3)22-18(4)14-10-9-13-17-23(20,21)19-15-11-8-12-16-19/h8,11-12,15-16,18H,5-7,9-10,13-14,17H2,1-4H3.
What are the key properties of 7-(benzenesulfonyl)heptan-2-yloxy-triethylsilane?
7-(benzenesulfonyl)heptan-2-yloxy-triethylsilane has a molecular weight of 370.63 g/mol, XLogP of 5.43, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)heptan-2-yloxy-triethylsilane is sourced from PubChem (CID 70348759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).