(5-chloro-1-silyloxy-1-triethylsilyloxypentoxy)-triethylsilane

C17H41ClO3Si3 — CID 173182267

IUPAC(5-chloro-1-silyloxy-1-triethylsilyloxypentoxy)-triethylsilane
SMILESCC[Si](CC)(CC)OC(CCCCCl)(O[SiH3])O[Si](CC)(CC)CC
InChIInChI=1S/C17H41ClO3Si3/c1-7-23(8-2,9-3)20-17(19-22,15-13-14-16-18)21-24(10-4,11-5)12-6/h7-16H2,1-6,22H3
InChIKeyLZPKEJSGHMCUKD-UHFFFAOYSA-N
MW413.22 g/mol
LogP5.39
Rot. Bonds15

About (5-chloro-1-silyloxy-1-triethylsilyloxypentoxy)-triethylsilane

(5-chloro-1-silyloxy-1-triethylsilyloxypentoxy)-triethylsilane (PubChem CID 173182267) has the molecular formula C17H41ClO3Si3 and a molecular weight of 413.22 g/mol. Its IUPAC name is (5-chloro-1-silyloxy-1-triethylsilyloxypentoxy)-triethylsilane.

Molecular Properties

Compound Name(5-chloro-1-silyloxy-1-triethylsilyloxypentoxy)-triethylsilane
PubChem CID173182267
Molecular FormulaC17H41ClO3Si3
Molecular Weight413.22 g/mol
Exact Mass412.21
IUPAC Name(5-chloro-1-silyloxy-1-triethylsilyloxypentoxy)-triethylsilane
SMILESCC[Si](CC)(CC)OC(CCCCCl)(O[SiH3])O[Si](CC)(CC)CC
InChIInChI=1S/C17H41ClO3Si3/c1-7-23(8-2,9-3)20-17(19-22,15-13-14-16-18)21-24(10-4,11-5)12-6/h7-16H2,1-6,22H3
InChIKeyLZPKEJSGHMCUKD-UHFFFAOYSA-N
XLogP5.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.22
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-silyloxy-1-triethylsilyloxypentoxy)-triethylsilane?
The IUPAC name of (5-chloro-1-silyloxy-1-triethylsilyloxypentoxy)-triethylsilane (CID 173182267) is (5-chloro-1-silyloxy-1-triethylsilyloxypentoxy)-triethylsilane.
What is the SMILES notation for (5-chloro-1-silyloxy-1-triethylsilyloxypentoxy)-triethylsilane?
The canonical SMILES for (5-chloro-1-silyloxy-1-triethylsilyloxypentoxy)-triethylsilane is CC[Si](CC)(CC)OC(CCCCCl)(O[SiH3])O[Si](CC)(CC)CC.
What is the InChIKey of (5-chloro-1-silyloxy-1-triethylsilyloxypentoxy)-triethylsilane?
The InChIKey is LZPKEJSGHMCUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H41ClO3Si3/c1-7-23(8-2,9-3)20-17(19-22,15-13-14-16-18)21-24(10-4,11-5)12-6/h7-16H2,1-6,22H3.
What are the key properties of (5-chloro-1-silyloxy-1-triethylsilyloxypentoxy)-triethylsilane?
(5-chloro-1-silyloxy-1-triethylsilyloxypentoxy)-triethylsilane has a molecular weight of 413.22 g/mol, XLogP of 5.39, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-silyloxy-1-triethylsilyloxypentoxy)-triethylsilane is sourced from PubChem (CID 173182267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).