tert-butyl-dimethyl-(5,5,5-trifluoropentoxy)silane

C11H23F3OSi — CID 58939458

IUPACtert-butyl-dimethyl-(5,5,5-trifluoropentoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCCCCC(F)(F)F
InChIInChI=1S/C11H23F3OSi/c1-10(2,3)16(4,5)15-9-7-6-8-11(12,13)14/h6-9H2,1-5H3
InChIKeyMUABNYHQDJILLD-UHFFFAOYSA-N
MW256.38 g/mol
LogP4.74
Rot. Bonds5

About tert-butyl-dimethyl-(5,5,5-trifluoropentoxy)silane

tert-butyl-dimethyl-(5,5,5-trifluoropentoxy)silane (PubChem CID 58939458) has the molecular formula C11H23F3OSi and a molecular weight of 256.38 g/mol. Its IUPAC name is tert-butyl-dimethyl-(5,5,5-trifluoropentoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(5,5,5-trifluoropentoxy)silane
PubChem CID58939458
Molecular FormulaC11H23F3OSi
Molecular Weight256.38 g/mol
Exact Mass256.15
IUPAC Nametert-butyl-dimethyl-(5,5,5-trifluoropentoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCCCCC(F)(F)F
InChIInChI=1S/C11H23F3OSi/c1-10(2,3)16(4,5)15-9-7-6-8-11(12,13)14/h6-9H2,1-5H3
InChIKeyMUABNYHQDJILLD-UHFFFAOYSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-(5,5,5-trifluoropentoxy)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(5,5,5-trifluoropentoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(5,5,5-trifluoropentoxy)silane (CID 58939458) is tert-butyl-dimethyl-(5,5,5-trifluoropentoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(5,5,5-trifluoropentoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(5,5,5-trifluoropentoxy)silane is CC(C)(C)[Si](C)(C)OCCCCC(F)(F)F.
What is the InChIKey of tert-butyl-dimethyl-(5,5,5-trifluoropentoxy)silane?
The InChIKey is MUABNYHQDJILLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3OSi/c1-10(2,3)16(4,5)15-9-7-6-8-11(12,13)14/h6-9H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-(5,5,5-trifluoropentoxy)silane?
tert-butyl-dimethyl-(5,5,5-trifluoropentoxy)silane has a molecular weight of 256.38 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(5,5,5-trifluoropentoxy)silane is sourced from PubChem (CID 58939458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).