2,2,4,4,6,6,8-heptamethyl-8-(trifluoromethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C8H21F3O4Si4 — CID 18443983

IUPAC2,2,4,4,6,6,8-heptamethyl-8-(trifluoromethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESC[Si]1(C)O[Si](C)(C)O[Si](C)(C(F)(F)F)O[Si](C)(C)O1
InChIInChI=1S/C8H21F3O4Si4/c1-16(2)12-17(3,4)14-19(7,8(9,10)11)15-18(5,6)13-16/h1-7H3
InChIKeyFPHSQKUDTOSKOA-UHFFFAOYSA-N
MW350.59 g/mol
LogP3.35
Rot. Bonds

About 2,2,4,4,6,6,8-heptamethyl-8-(trifluoromethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2,2,4,4,6,6,8-heptamethyl-8-(trifluoromethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 18443983) has the molecular formula C8H21F3O4Si4 and a molecular weight of 350.59 g/mol. Its IUPAC name is 2,2,4,4,6,6,8-heptamethyl-8-(trifluoromethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name2,2,4,4,6,6,8-heptamethyl-8-(trifluoromethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID18443983
Molecular FormulaC8H21F3O4Si4
Molecular Weight350.59 g/mol
Exact Mass350.05
IUPAC Name2,2,4,4,6,6,8-heptamethyl-8-(trifluoromethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESC[Si]1(C)O[Si](C)(C)O[Si](C)(C(F)(F)F)O[Si](C)(C)O1
InChIInChI=1S/C8H21F3O4Si4/c1-16(2)12-17(3,4)14-19(7,8(9,10)11)15-18(5,6)13-16/h1-7H3
InChIKeyFPHSQKUDTOSKOA-UHFFFAOYSA-N
XLogP3.35
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.59
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2,4,4,6,6,8-heptamethyl-8-(trifluoromethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane 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 2,2,4,4,6,6,8-heptamethyl-8-(trifluoromethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 2,2,4,4,6,6,8-heptamethyl-8-(trifluoromethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 18443983) is 2,2,4,4,6,6,8-heptamethyl-8-(trifluoromethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 2,2,4,4,6,6,8-heptamethyl-8-(trifluoromethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 2,2,4,4,6,6,8-heptamethyl-8-(trifluoromethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is C[Si]1(C)O[Si](C)(C)O[Si](C)(C(F)(F)F)O[Si](C)(C)O1.
What is the InChIKey of 2,2,4,4,6,6,8-heptamethyl-8-(trifluoromethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is FPHSQKUDTOSKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21F3O4Si4/c1-16(2)12-17(3,4)14-19(7,8(9,10)11)15-18(5,6)13-16/h1-7H3.
What are the key properties of 2,2,4,4,6,6,8-heptamethyl-8-(trifluoromethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
2,2,4,4,6,6,8-heptamethyl-8-(trifluoromethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 350.59 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6,8-heptamethyl-8-(trifluoromethyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 18443983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).