trimethyl-[3-(2,3,4,5,6-pentachlorophenoxy)propoxy]silane

C12H15Cl5O2Si — CID 18346518

IUPACtrimethyl-[3-(2,3,4,5,6-pentachlorophenoxy)propoxy]silane
SMILESC[Si](C)(C)OCCCOc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H15Cl5O2Si/c1-20(2,3)19-6-4-5-18-12-10(16)8(14)7(13)9(15)11(12)17/h4-6H2,1-3H3
InChIKeyLAXHJDMCEUWTLM-UHFFFAOYSA-N
MW396.60 g/mol
LogP6.57
Rot. Bonds6

About trimethyl-[3-(2,3,4,5,6-pentachlorophenoxy)propoxy]silane

trimethyl-[3-(2,3,4,5,6-pentachlorophenoxy)propoxy]silane (PubChem CID 18346518) has the molecular formula C12H15Cl5O2Si and a molecular weight of 396.60 g/mol. Its IUPAC name is trimethyl-[3-(2,3,4,5,6-pentachlorophenoxy)propoxy]silane.

Molecular Properties

Compound Nametrimethyl-[3-(2,3,4,5,6-pentachlorophenoxy)propoxy]silane
PubChem CID18346518
Molecular FormulaC12H15Cl5O2Si
Molecular Weight396.60 g/mol
Exact Mass393.93
IUPAC Nametrimethyl-[3-(2,3,4,5,6-pentachlorophenoxy)propoxy]silane
SMILESC[Si](C)(C)OCCCOc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H15Cl5O2Si/c1-20(2,3)19-6-4-5-18-12-10(16)8(14)7(13)9(15)11(12)17/h4-6H2,1-3H3
InChIKeyLAXHJDMCEUWTLM-UHFFFAOYSA-N
XLogP6.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.60
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-(2,3,4,5,6-pentachlorophenoxy)propoxy]silane?
The IUPAC name of trimethyl-[3-(2,3,4,5,6-pentachlorophenoxy)propoxy]silane (CID 18346518) is trimethyl-[3-(2,3,4,5,6-pentachlorophenoxy)propoxy]silane.
What is the SMILES notation for trimethyl-[3-(2,3,4,5,6-pentachlorophenoxy)propoxy]silane?
The canonical SMILES for trimethyl-[3-(2,3,4,5,6-pentachlorophenoxy)propoxy]silane is C[Si](C)(C)OCCCOc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of trimethyl-[3-(2,3,4,5,6-pentachlorophenoxy)propoxy]silane?
The InChIKey is LAXHJDMCEUWTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl5O2Si/c1-20(2,3)19-6-4-5-18-12-10(16)8(14)7(13)9(15)11(12)17/h4-6H2,1-3H3.
What are the key properties of trimethyl-[3-(2,3,4,5,6-pentachlorophenoxy)propoxy]silane?
trimethyl-[3-(2,3,4,5,6-pentachlorophenoxy)propoxy]silane has a molecular weight of 396.60 g/mol, XLogP of 6.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-(2,3,4,5,6-pentachlorophenoxy)propoxy]silane is sourced from PubChem (CID 18346518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).