[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl-triphenylphosphanium chloride

C37H50ClO2PSi2 — CID 10919369

IUPAC[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl-triphenylphosphanium chloride
SMILESCC(C)(C)[Si](C)(C)Oc1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc(O[Si](C)(C)C(C)(C)C)c1.[Cl-]
InChIInChI=1S/C37H50O2PSi2.ClH/c1-36(2,3)41(7,8)38-31-26-30(27-32(28-31)39-42(9,10)37(4,5)6)29-40(33-20-14-11-15-21-33,34-22-16-12-17-23-34)35-24-18-13-19-25-35;/h11-28H,29H2,1-10H3;1H/q+1;/p-1
InChIKeyIYXPGTGDLSQQOF-UHFFFAOYSA-M
MW649.40 g/mol
LogP6.95
Rot. Bonds9

About [3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl-triphenylphosphanium chloride

[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl-triphenylphosphanium chloride (PubChem CID 10919369) has the molecular formula C37H50ClO2PSi2 and a molecular weight of 649.40 g/mol. Its IUPAC name is [3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl-triphenylphosphanium chloride.

Molecular Properties

Compound Name[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl-triphenylphosphanium chloride
PubChem CID10919369
Molecular FormulaC37H50ClO2PSi2
Molecular Weight649.40 g/mol
Exact Mass648.28
IUPAC Name[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl-triphenylphosphanium chloride
SMILESCC(C)(C)[Si](C)(C)Oc1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc(O[Si](C)(C)C(C)(C)C)c1.[Cl-]
InChIInChI=1S/C37H50O2PSi2.ClH/c1-36(2,3)41(7,8)38-31-26-30(27-32(28-31)39-42(9,10)37(4,5)6)29-40(33-20-14-11-15-21-33,34-22-16-12-17-23-34)35-24-18-13-19-25-35;/h11-28H,29H2,1-10H3;1H/q+1;/p-1
InChIKeyIYXPGTGDLSQQOF-UHFFFAOYSA-M
XLogP6.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.40
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tri(propan-2-yl)-[3-tri(propan-2-yl)silyloxy-5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]phenoxy]silane
CID 153432761
3,5-Bis(tert-butyldiphenylsilyloxy)benzyl Alcohol
CID 11114774
3,5-Bis[dimethyl(tert-butyl)silyloxy]styrene
CID 627981
[4-[(E)-2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethenyl]phenoxy]-tert-butyl-dimethylsilane
CID 101770573
Orcinol, 2TBDMS derivative
CID 91741364
(E)-((5-(4-((trimethylsilyl)oxy)styryl)-1,3-phenylene)bis(oxy))bis(trimethylsilane)
CID 91745415
Di(3-methylphenoxy)diphenylsilane
CID 6426529
(Z)-((5-(4-((Trimethylsilyl)oxy)styryl)-1,3-phenylene)bis(oxy))bis(trimethylsilane)
CID 91697074
[3-[12-[3,5-Bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]dodeca-1,3,5,7,9,11-hexaynyl]-5-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane
CID 101157186
[3-[4-[3,5-Bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]buta-1,3-diynyl]-5-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane
CID 101157188
[3-[4-[3,5-Bis[tri(propan-2-yl)silyloxy]phenyl]buta-1,3-diynyl]-5-tri(propan-2-yl)silyloxyphenoxy]-tri(propan-2-yl)silane
CID 101157189
[3-[8-[3,5-Bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]octa-1,3,5,7-tetraynyl]-5-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane
CID 101157190

Frequently Asked Questions

What is the IUPAC name of [3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl-triphenylphosphanium chloride?
The IUPAC name of [3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl-triphenylphosphanium chloride (CID 10919369) is [3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl-triphenylphosphanium chloride.
What is the SMILES notation for [3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl-triphenylphosphanium chloride?
The canonical SMILES for [3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl-triphenylphosphanium chloride is CC(C)(C)[Si](C)(C)Oc1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc(O[Si](C)(C)C(C)(C)C)c1.[Cl-].
What is the InChIKey of [3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl-triphenylphosphanium chloride?
The InChIKey is IYXPGTGDLSQQOF-UHFFFAOYSA-M. The full InChI is InChI=1S/C37H50O2PSi2.ClH/c1-36(2,3)41(7,8)38-31-26-30(27-32(28-31)39-42(9,10)37(4,5)6)29-40(33-20-14-11-15-21-33,34-22-16-12-17-23-34)35-24-18-13-19-25-35;/h11-28H,29H2,1-10H3;1H/q+1;/p-1.
What are the key properties of [3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl-triphenylphosphanium chloride?
[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl-triphenylphosphanium chloride has a molecular weight of 649.40 g/mol, XLogP of 6.95, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl-triphenylphosphanium chloride is sourced from PubChem (CID 10919369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).