hexyl-dimethyl-[4-[4-(trifluoromethoxy)phenyl]phenyl]silane

C21H27F3OSi — CID 139625184

IUPAChexyl-dimethyl-[4-[4-(trifluoromethoxy)phenyl]phenyl]silane
SMILESCCCCCC[Si](C)(C)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C21H27F3OSi/c1-4-5-6-7-16-26(2,3)20-14-10-18(11-15-20)17-8-12-19(13-9-17)25-21(22,23)24/h8-15H,4-7,16H2,1-3H3
InChIKeyBGOLTZOMSYLTAB-UHFFFAOYSA-N
MW380.53 g/mol
LogP6.75
Rot. Bonds8

About hexyl-dimethyl-[4-[4-(trifluoromethoxy)phenyl]phenyl]silane

hexyl-dimethyl-[4-[4-(trifluoromethoxy)phenyl]phenyl]silane (PubChem CID 139625184) has the molecular formula C21H27F3OSi and a molecular weight of 380.53 g/mol. Its IUPAC name is hexyl-dimethyl-[4-[4-(trifluoromethoxy)phenyl]phenyl]silane.

Molecular Properties

Compound Namehexyl-dimethyl-[4-[4-(trifluoromethoxy)phenyl]phenyl]silane
PubChem CID139625184
Molecular FormulaC21H27F3OSi
Molecular Weight380.53 g/mol
Exact Mass380.18
IUPAC Namehexyl-dimethyl-[4-[4-(trifluoromethoxy)phenyl]phenyl]silane
SMILESCCCCCC[Si](C)(C)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C21H27F3OSi/c1-4-5-6-7-16-26(2,3)20-14-10-18(11-15-20)17-8-12-19(13-9-17)25-21(22,23)24/h8-15H,4-7,16H2,1-3H3
InChIKeyBGOLTZOMSYLTAB-UHFFFAOYSA-N
XLogP6.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 56.75
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 hexyl-dimethyl-[4-[4-(trifluoromethoxy)phenyl]phenyl]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 hexyl-dimethyl-[4-[4-(trifluoromethoxy)phenyl]phenyl]silane?
The IUPAC name of hexyl-dimethyl-[4-[4-(trifluoromethoxy)phenyl]phenyl]silane (CID 139625184) is hexyl-dimethyl-[4-[4-(trifluoromethoxy)phenyl]phenyl]silane.
What is the SMILES notation for hexyl-dimethyl-[4-[4-(trifluoromethoxy)phenyl]phenyl]silane?
The canonical SMILES for hexyl-dimethyl-[4-[4-(trifluoromethoxy)phenyl]phenyl]silane is CCCCCC[Si](C)(C)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of hexyl-dimethyl-[4-[4-(trifluoromethoxy)phenyl]phenyl]silane?
The InChIKey is BGOLTZOMSYLTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3OSi/c1-4-5-6-7-16-26(2,3)20-14-10-18(11-15-20)17-8-12-19(13-9-17)25-21(22,23)24/h8-15H,4-7,16H2,1-3H3.
What are the key properties of hexyl-dimethyl-[4-[4-(trifluoromethoxy)phenyl]phenyl]silane?
hexyl-dimethyl-[4-[4-(trifluoromethoxy)phenyl]phenyl]silane has a molecular weight of 380.53 g/mol, XLogP of 6.75, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl-dimethyl-[4-[4-(trifluoromethoxy)phenyl]phenyl]silane is sourced from PubChem (CID 139625184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).