ethyl-dimethoxy-[6-(2,4,6-trifluorophenyl)hexyl]silane

C16H25F3O2Si — CID 90174756

IUPACethyl-dimethoxy-[6-(2,4,6-trifluorophenyl)hexyl]silane
SMILESCC[Si](CCCCCCc1c(F)cc(F)cc1F)(OC)OC
InChIInChI=1S/C16H25F3O2Si/c1-4-22(20-2,21-3)10-8-6-5-7-9-14-15(18)11-13(17)12-16(14)19/h11-12H,4-10H2,1-3H3
InChIKeyAOCMHFFNTSKFSX-UHFFFAOYSA-N
MW334.45 g/mol
LogP4.96
Rot. Bonds10

About ethyl-dimethoxy-[6-(2,4,6-trifluorophenyl)hexyl]silane

ethyl-dimethoxy-[6-(2,4,6-trifluorophenyl)hexyl]silane (PubChem CID 90174756) has the molecular formula C16H25F3O2Si and a molecular weight of 334.45 g/mol. Its IUPAC name is ethyl-dimethoxy-[6-(2,4,6-trifluorophenyl)hexyl]silane.

Molecular Properties

Compound Nameethyl-dimethoxy-[6-(2,4,6-trifluorophenyl)hexyl]silane
PubChem CID90174756
Molecular FormulaC16H25F3O2Si
Molecular Weight334.45 g/mol
Exact Mass334.16
IUPAC Nameethyl-dimethoxy-[6-(2,4,6-trifluorophenyl)hexyl]silane
SMILESCC[Si](CCCCCCc1c(F)cc(F)cc1F)(OC)OC
InChIInChI=1S/C16H25F3O2Si/c1-4-22(20-2,21-3)10-8-6-5-7-9-14-15(18)11-13(17)12-16(14)19/h11-12H,4-10H2,1-3H3
InChIKeyAOCMHFFNTSKFSX-UHFFFAOYSA-N
XLogP4.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 ethyl-dimethoxy-[6-(2,4,6-trifluorophenyl)hexyl]silane?
The IUPAC name of ethyl-dimethoxy-[6-(2,4,6-trifluorophenyl)hexyl]silane (CID 90174756) is ethyl-dimethoxy-[6-(2,4,6-trifluorophenyl)hexyl]silane.
What is the SMILES notation for ethyl-dimethoxy-[6-(2,4,6-trifluorophenyl)hexyl]silane?
The canonical SMILES for ethyl-dimethoxy-[6-(2,4,6-trifluorophenyl)hexyl]silane is CC[Si](CCCCCCc1c(F)cc(F)cc1F)(OC)OC.
What is the InChIKey of ethyl-dimethoxy-[6-(2,4,6-trifluorophenyl)hexyl]silane?
The InChIKey is AOCMHFFNTSKFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3O2Si/c1-4-22(20-2,21-3)10-8-6-5-7-9-14-15(18)11-13(17)12-16(14)19/h11-12H,4-10H2,1-3H3.
What are the key properties of ethyl-dimethoxy-[6-(2,4,6-trifluorophenyl)hexyl]silane?
ethyl-dimethoxy-[6-(2,4,6-trifluorophenyl)hexyl]silane has a molecular weight of 334.45 g/mol, XLogP of 4.96, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethoxy-[6-(2,4,6-trifluorophenyl)hexyl]silane is sourced from PubChem (CID 90174756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).