trichloro-[3-(2,3,4,5,6-pentachlorophenoxy)propyl]silane

C9H6Cl8OSi — CID 23336289

IUPACtrichloro-[3-(2,3,4,5,6-pentachlorophenoxy)propyl]silane
SMILESClc1c(Cl)c(Cl)c(OCCC[Si](Cl)(Cl)Cl)c(Cl)c1Cl
InChIInChI=1S/C9H6Cl8OSi/c10-4-5(11)7(13)9(8(14)6(4)12)18-2-1-3-19(15,16)17/h1-3H2
InChIKeyBGLYNTKAVFSCJW-UHFFFAOYSA-N
MW441.86 g/mol
LogP7.38
Rot. Bonds5

About trichloro-[3-(2,3,4,5,6-pentachlorophenoxy)propyl]silane

trichloro-[3-(2,3,4,5,6-pentachlorophenoxy)propyl]silane (PubChem CID 23336289) has the molecular formula C9H6Cl8OSi and a molecular weight of 441.86 g/mol. Its IUPAC name is trichloro-[3-(2,3,4,5,6-pentachlorophenoxy)propyl]silane.

Molecular Properties

Compound Nametrichloro-[3-(2,3,4,5,6-pentachlorophenoxy)propyl]silane
PubChem CID23336289
Molecular FormulaC9H6Cl8OSi
Molecular Weight441.86 g/mol
Exact Mass437.77
IUPAC Nametrichloro-[3-(2,3,4,5,6-pentachlorophenoxy)propyl]silane
SMILESClc1c(Cl)c(Cl)c(OCCC[Si](Cl)(Cl)Cl)c(Cl)c1Cl
InChIInChI=1S/C9H6Cl8OSi/c10-4-5(11)7(13)9(8(14)6(4)12)18-2-1-3-19(15,16)17/h1-3H2
InChIKeyBGLYNTKAVFSCJW-UHFFFAOYSA-N
XLogP7.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.86
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trichloro-[3-(2,3,4,5,6-pentachlorophenoxy)propyl]silane?
The IUPAC name of trichloro-[3-(2,3,4,5,6-pentachlorophenoxy)propyl]silane (CID 23336289) is trichloro-[3-(2,3,4,5,6-pentachlorophenoxy)propyl]silane.
What is the SMILES notation for trichloro-[3-(2,3,4,5,6-pentachlorophenoxy)propyl]silane?
The canonical SMILES for trichloro-[3-(2,3,4,5,6-pentachlorophenoxy)propyl]silane is Clc1c(Cl)c(Cl)c(OCCC[Si](Cl)(Cl)Cl)c(Cl)c1Cl.
What is the InChIKey of trichloro-[3-(2,3,4,5,6-pentachlorophenoxy)propyl]silane?
The InChIKey is BGLYNTKAVFSCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl8OSi/c10-4-5(11)7(13)9(8(14)6(4)12)18-2-1-3-19(15,16)17/h1-3H2.
What are the key properties of trichloro-[3-(2,3,4,5,6-pentachlorophenoxy)propyl]silane?
trichloro-[3-(2,3,4,5,6-pentachlorophenoxy)propyl]silane has a molecular weight of 441.86 g/mol, XLogP of 7.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[3-(2,3,4,5,6-pentachlorophenoxy)propyl]silane is sourced from PubChem (CID 23336289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).