[dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-(4,4,4-trifluorobutyl)silane

C18H35F3O3Si4 — CID 58112823

IUPAC[dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-(4,4,4-trifluorobutyl)silane
SMILESC[Si](C)(C)O[Si](C)(O[Si](C)(C)O[Si](C)(C)CCCC(F)(F)F)c1ccccc1
InChIInChI=1S/C18H35F3O3Si4/c1-25(2,3)22-28(8,17-13-10-9-11-14-17)24-27(6,7)23-26(4,5)16-12-15-18(19,20)21/h9-11,13-14H,12,15-16H2,1-8H3
InChIKeyNXMKCBKLPWSFPW-UHFFFAOYSA-N
MW468.81 g/mol
LogP6.10
Rot. Bonds10

About [dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-(4,4,4-trifluorobutyl)silane

[dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-(4,4,4-trifluorobutyl)silane (PubChem CID 58112823) has the molecular formula C18H35F3O3Si4 and a molecular weight of 468.81 g/mol. Its IUPAC name is [dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-(4,4,4-trifluorobutyl)silane.

Molecular Properties

Compound Name[dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-(4,4,4-trifluorobutyl)silane
PubChem CID58112823
Molecular FormulaC18H35F3O3Si4
Molecular Weight468.81 g/mol
Exact Mass468.16
IUPAC Name[dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-(4,4,4-trifluorobutyl)silane
SMILESC[Si](C)(C)O[Si](C)(O[Si](C)(C)O[Si](C)(C)CCCC(F)(F)F)c1ccccc1
InChIInChI=1S/C18H35F3O3Si4/c1-25(2,3)22-28(8,17-13-10-9-11-14-17)24-27(6,7)23-26(4,5)16-12-15-18(19,20)21/h9-11,13-14H,12,15-16H2,1-8H3
InChIKeyNXMKCBKLPWSFPW-UHFFFAOYSA-N
XLogP6.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.81
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-(4,4,4-trifluorobutyl)silane?
The IUPAC name of [dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-(4,4,4-trifluorobutyl)silane (CID 58112823) is [dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-(4,4,4-trifluorobutyl)silane.
What is the SMILES notation for [dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-(4,4,4-trifluorobutyl)silane?
The canonical SMILES for [dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-(4,4,4-trifluorobutyl)silane is C[Si](C)(C)O[Si](C)(O[Si](C)(C)O[Si](C)(C)CCCC(F)(F)F)c1ccccc1.
What is the InChIKey of [dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-(4,4,4-trifluorobutyl)silane?
The InChIKey is NXMKCBKLPWSFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35F3O3Si4/c1-25(2,3)22-28(8,17-13-10-9-11-14-17)24-27(6,7)23-26(4,5)16-12-15-18(19,20)21/h9-11,13-14H,12,15-16H2,1-8H3.
What are the key properties of [dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-(4,4,4-trifluorobutyl)silane?
[dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-(4,4,4-trifluorobutyl)silane has a molecular weight of 468.81 g/mol, XLogP of 6.10, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-(4,4,4-trifluorobutyl)silane is sourced from PubChem (CID 58112823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).