(6-dimethylsilyloxy-7,7-dimethyloctyl)-triphenylphosphanium

C30H42OPSi+ — CID 173329265

IUPAC(6-dimethylsilyloxy-7,7-dimethyloctyl)-triphenylphosphanium
SMILESC[SiH](C)OC(CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H42OPSi/c1-30(2,3)29(31-33(4)5)24-16-9-17-25-32(26-18-10-6-11-19-26,27-20-12-7-13-21-27)28-22-14-8-15-23-28/h6-8,10-15,18-23,29,33H,9,16-17,24-25H2,1-5H3/q+1
InChIKeyZDGBPCWWUGNCEG-UHFFFAOYSA-N
MW477.73 g/mol
LogP6.96
Rot. Bonds11

About (6-dimethylsilyloxy-7,7-dimethyloctyl)-triphenylphosphanium

(6-dimethylsilyloxy-7,7-dimethyloctyl)-triphenylphosphanium (PubChem CID 173329265) has the molecular formula C30H42OPSi+ and a molecular weight of 477.73 g/mol. Its IUPAC name is (6-dimethylsilyloxy-7,7-dimethyloctyl)-triphenylphosphanium.

Molecular Properties

Compound Name(6-dimethylsilyloxy-7,7-dimethyloctyl)-triphenylphosphanium
PubChem CID173329265
Molecular FormulaC30H42OPSi+
Molecular Weight477.73 g/mol
Exact Mass477.27
IUPAC Name(6-dimethylsilyloxy-7,7-dimethyloctyl)-triphenylphosphanium
SMILESC[SiH](C)OC(CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H42OPSi/c1-30(2,3)29(31-33(4)5)24-16-9-17-25-32(26-18-10-6-11-19-26,27-20-12-7-13-21-27)28-22-14-8-15-23-28/h6-8,10-15,18-23,29,33H,9,16-17,24-25H2,1-5H3/q+1
InChIKeyZDGBPCWWUGNCEG-UHFFFAOYSA-N
XLogP6.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.73
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
13,13-diethoxytridecyl(triphenyl)phosphanium
CID 156628251
5,5-diethoxypentyl(triphenyl)phosphanium
CID 156628237
hexyl(triphenyl)phosphanium
CID 2724570
triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide
CID 22210440
dodecyl(triphenyl)phosphanium iodide
CID 22245251
dodecyl(triphenyl)phosphanium fluoride
CID 88725542
triphenyl(undecyl)phosphanium chloride
CID 22921220
azane;6-hydroxyhexyl(triphenyl)phosphanium;bromide
CID 172743171
4-methoxybutyl(triphenyl)phosphanium
CID 86618875
nonyl(triphenyl)phosphanium;phosphane;bromide
CID 174988859
8-bromooctyl(triphenyl)phosphanium
CID 11991463

Frequently Asked Questions

What is the IUPAC name of (6-dimethylsilyloxy-7,7-dimethyloctyl)-triphenylphosphanium?
The IUPAC name of (6-dimethylsilyloxy-7,7-dimethyloctyl)-triphenylphosphanium (CID 173329265) is (6-dimethylsilyloxy-7,7-dimethyloctyl)-triphenylphosphanium.
What is the SMILES notation for (6-dimethylsilyloxy-7,7-dimethyloctyl)-triphenylphosphanium?
The canonical SMILES for (6-dimethylsilyloxy-7,7-dimethyloctyl)-triphenylphosphanium is C[SiH](C)OC(CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C.
What is the InChIKey of (6-dimethylsilyloxy-7,7-dimethyloctyl)-triphenylphosphanium?
The InChIKey is ZDGBPCWWUGNCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42OPSi/c1-30(2,3)29(31-33(4)5)24-16-9-17-25-32(26-18-10-6-11-19-26,27-20-12-7-13-21-27)28-22-14-8-15-23-28/h6-8,10-15,18-23,29,33H,9,16-17,24-25H2,1-5H3/q+1.
What are the key properties of (6-dimethylsilyloxy-7,7-dimethyloctyl)-triphenylphosphanium?
(6-dimethylsilyloxy-7,7-dimethyloctyl)-triphenylphosphanium has a molecular weight of 477.73 g/mol, XLogP of 6.96, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-dimethylsilyloxy-7,7-dimethyloctyl)-triphenylphosphanium is sourced from PubChem (CID 173329265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).