hydroxy-[[4-(trifluoromethyl)phenyl]-bis(trimethylsilyl)methyl]-trimethylsilyl-trimethylsilyloxysilane

C20H41F3O2Si5 — CID 139197816

IUPAChydroxy-[[4-(trifluoromethyl)phenyl]-bis(trimethylsilyl)methyl]-trimethylsilyl-trimethylsilyloxysilane
SMILESC[Si](C)(C)O[Si@@](O)(C(c1ccc(C(F)(F)F)cc1)([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C20H41F3O2Si5/c1-26(2,3)20(27(4,5)6,18-15-13-17(14-16-18)19(21,22)23)30(24,29(10,11)12)25-28(7,8)9/h13-16,24H,1-12H3/t30-/m0/s1
InChIKeyHLSQUXAQQVSTQZ-PMERELPUSA-N
MW510.97 g/mol
LogP6.94
Rot. Bonds7

About hydroxy-[[4-(trifluoromethyl)phenyl]-bis(trimethylsilyl)methyl]-trimethylsilyl-trimethylsilyloxysilane

hydroxy-[[4-(trifluoromethyl)phenyl]-bis(trimethylsilyl)methyl]-trimethylsilyl-trimethylsilyloxysilane (PubChem CID 139197816) has the molecular formula C20H41F3O2Si5 and a molecular weight of 510.97 g/mol. Its IUPAC name is hydroxy-[[4-(trifluoromethyl)phenyl]-bis(trimethylsilyl)methyl]-trimethylsilyl-trimethylsilyloxysilane.

Molecular Properties

Compound Namehydroxy-[[4-(trifluoromethyl)phenyl]-bis(trimethylsilyl)methyl]-trimethylsilyl-trimethylsilyloxysilane
PubChem CID139197816
Molecular FormulaC20H41F3O2Si5
Molecular Weight510.97 g/mol
Exact Mass510.19
IUPAC Namehydroxy-[[4-(trifluoromethyl)phenyl]-bis(trimethylsilyl)methyl]-trimethylsilyl-trimethylsilyloxysilane
SMILESC[Si](C)(C)O[Si@@](O)(C(c1ccc(C(F)(F)F)cc1)([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C20H41F3O2Si5/c1-26(2,3)20(27(4,5)6,18-15-13-17(14-16-18)19(21,22)23)30(24,29(10,11)12)25-28(7,8)9/h13-16,24H,1-12H3/t30-/m0/s1
InChIKeyHLSQUXAQQVSTQZ-PMERELPUSA-N
XLogP6.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.97
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[methyl-[4-(trifluoromethyl)phenyl]-trimethylsilyloxysilyl]oxysilane
CID 102084462
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
1-[4-(trifluoromethyl)phenyl]-1-(4-trimethylsilylphenyl)ethanol
CID 101475604
trihydroxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
CID 90172329
5-chloro-4-methyl-3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 81254924
4-(trifluoromethyl)(18F)phenol
CID 71660610
1-[chloro-bis[4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzene
CID 14292463
trimethyl-[4-(trifluoromethyl)phenyl]-λ4-sulfane
CID 130344307
2,2-dimethoxy-1,3-bis[4-(trifluoromethyl)phenyl]propane-1,3-dione
CID 11560797
(Z)-1-[4-(trifluoromethyl)phenyl]-N-trimethylsilylprop-1-en-1-amine
CID 134992779
fluorooxy-[4-(trifluoromethyl)phenyl]borinic acid
CID 174717954
2-[4-(trifluoromethyl)phenyl]but-3-en-2-amine
CID 10512852

Frequently Asked Questions

What is the IUPAC name of hydroxy-[[4-(trifluoromethyl)phenyl]-bis(trimethylsilyl)methyl]-trimethylsilyl-trimethylsilyloxysilane?
The IUPAC name of hydroxy-[[4-(trifluoromethyl)phenyl]-bis(trimethylsilyl)methyl]-trimethylsilyl-trimethylsilyloxysilane (CID 139197816) is hydroxy-[[4-(trifluoromethyl)phenyl]-bis(trimethylsilyl)methyl]-trimethylsilyl-trimethylsilyloxysilane.
What is the SMILES notation for hydroxy-[[4-(trifluoromethyl)phenyl]-bis(trimethylsilyl)methyl]-trimethylsilyl-trimethylsilyloxysilane?
The canonical SMILES for hydroxy-[[4-(trifluoromethyl)phenyl]-bis(trimethylsilyl)methyl]-trimethylsilyl-trimethylsilyloxysilane is C[Si](C)(C)O[Si@@](O)(C(c1ccc(C(F)(F)F)cc1)([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of hydroxy-[[4-(trifluoromethyl)phenyl]-bis(trimethylsilyl)methyl]-trimethylsilyl-trimethylsilyloxysilane?
The InChIKey is HLSQUXAQQVSTQZ-PMERELPUSA-N. The full InChI is InChI=1S/C20H41F3O2Si5/c1-26(2,3)20(27(4,5)6,18-15-13-17(14-16-18)19(21,22)23)30(24,29(10,11)12)25-28(7,8)9/h13-16,24H,1-12H3/t30-/m0/s1.
What are the key properties of hydroxy-[[4-(trifluoromethyl)phenyl]-bis(trimethylsilyl)methyl]-trimethylsilyl-trimethylsilyloxysilane?
hydroxy-[[4-(trifluoromethyl)phenyl]-bis(trimethylsilyl)methyl]-trimethylsilyl-trimethylsilyloxysilane has a molecular weight of 510.97 g/mol, XLogP of 6.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[[4-(trifluoromethyl)phenyl]-bis(trimethylsilyl)methyl]-trimethylsilyl-trimethylsilyloxysilane is sourced from PubChem (CID 139197816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).