[dimethyl-(3,4,4,4-tetrafluoro-3-methylbutyl)silyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-phenylsilane

C19H36F4O3Si4 — CID 58112834

IUPAC[dimethyl-(3,4,4,4-tetrafluoro-3-methylbutyl)silyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-phenylsilane
SMILESCC(F)(CC[Si](C)(C)O[Si](C)(O[Si](C)(C)O[Si](C)(C)C)c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H36F4O3Si4/c1-18(20,19(21,22)23)15-16-28(5,6)25-30(9,17-13-11-10-12-14-17)26-29(7,8)24-27(2,3)4/h10-14H,15-16H2,1-9H3
InChIKeyIBPZAXJEMDMRBZ-UHFFFAOYSA-N
MW500.83 g/mol
LogP6.44
Rot. Bonds10

About [dimethyl-(3,4,4,4-tetrafluoro-3-methylbutyl)silyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-phenylsilane

[dimethyl-(3,4,4,4-tetrafluoro-3-methylbutyl)silyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-phenylsilane (PubChem CID 58112834) has the molecular formula C19H36F4O3Si4 and a molecular weight of 500.83 g/mol. Its IUPAC name is [dimethyl-(3,4,4,4-tetrafluoro-3-methylbutyl)silyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-phenylsilane.

Molecular Properties

Compound Name[dimethyl-(3,4,4,4-tetrafluoro-3-methylbutyl)silyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-phenylsilane
PubChem CID58112834
Molecular FormulaC19H36F4O3Si4
Molecular Weight500.83 g/mol
Exact Mass500.17
IUPAC Name[dimethyl-(3,4,4,4-tetrafluoro-3-methylbutyl)silyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-phenylsilane
SMILESCC(F)(CC[Si](C)(C)O[Si](C)(O[Si](C)(C)O[Si](C)(C)C)c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H36F4O3Si4/c1-18(20,19(21,22)23)15-16-28(5,6)25-30(9,17-13-11-10-12-14-17)26-29(7,8)24-27(2,3)4/h10-14H,15-16H2,1-9H3
InChIKeyIBPZAXJEMDMRBZ-UHFFFAOYSA-N
XLogP6.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.83
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [dimethyl-(3,4,4,4-tetrafluoro-3-methylbutyl)silyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-phenylsilane with MolForge

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

Launch Full Analysis

Related Compounds

1,1,1,5,5,5-Hexamethyl-3-phenyl-3-(trimethylsilyloxy)trisiloxane
CID 62427
Phenyltris(dimethylsiloxy)silane
CID 6335366
1,1,1,3,5,5,5-Heptamethyl-3-phenyltrisiloxane
CID 136354
1,1,3,5,5-Pentamethyl-3-phenyl-1,5-divinyltrisiloxane
CID 87358
Trisiloxane, heptamethylphenyl-
CID 29059
Bis(trimethylsilyl)(fluorodiethylsilyl)(dimethylphenylsilyl)methane
CID 13865705
1,1,1-Trimethyl-3-phenyl-3,3-difluorodisiloxane
CID 15738803
1,1,3,5,5-Pentamethyl-3-phenyltrisiloxane
CID 6335364
3-((Dimethylvinylsilyl)oxy)-1,1,5,5-tetramethyl-3-phenyl-1,5-divinyltrisiloxane
CID 6453907
1,1,1,5,5,5-Hexamethyl-3-trimethylsilyloxy-3-(4-vinylphenyl)trisiloxane
CID 16051823
Silane, [(fluoromethylphenylsilyl)methylidyne]tris[trimethyl-
CID 631962
Hydroxy-[[4-(trifluoromethyl)phenyl]-bis(trimethylsilyl)methyl]-trimethylsilyl-trimethylsilyloxysilane
CID 139197816

Frequently Asked Questions

What is the IUPAC name of [dimethyl-(3,4,4,4-tetrafluoro-3-methylbutyl)silyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-phenylsilane?
The IUPAC name of [dimethyl-(3,4,4,4-tetrafluoro-3-methylbutyl)silyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-phenylsilane (CID 58112834) is [dimethyl-(3,4,4,4-tetrafluoro-3-methylbutyl)silyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-phenylsilane.
What is the SMILES notation for [dimethyl-(3,4,4,4-tetrafluoro-3-methylbutyl)silyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-phenylsilane?
The canonical SMILES for [dimethyl-(3,4,4,4-tetrafluoro-3-methylbutyl)silyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-phenylsilane is CC(F)(CC[Si](C)(C)O[Si](C)(O[Si](C)(C)O[Si](C)(C)C)c1ccccc1)C(F)(F)F.
What is the InChIKey of [dimethyl-(3,4,4,4-tetrafluoro-3-methylbutyl)silyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-phenylsilane?
The InChIKey is IBPZAXJEMDMRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36F4O3Si4/c1-18(20,19(21,22)23)15-16-28(5,6)25-30(9,17-13-11-10-12-14-17)26-29(7,8)24-27(2,3)4/h10-14H,15-16H2,1-9H3.
What are the key properties of [dimethyl-(3,4,4,4-tetrafluoro-3-methylbutyl)silyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-phenylsilane?
[dimethyl-(3,4,4,4-tetrafluoro-3-methylbutyl)silyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-phenylsilane has a molecular weight of 500.83 g/mol, XLogP of 6.44, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl-(3,4,4,4-tetrafluoro-3-methylbutyl)silyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-phenylsilane is sourced from PubChem (CID 58112834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).