[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-triphenylphosphanium

C29H40OPSi+ — CID 11410748

IUPAC[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-triphenylphosphanium
SMILESC[C@@H](CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H40OPSi/c1-25(24-30-32(5,6)29(2,3)4)22-23-31(26-16-10-7-11-17-26,27-18-12-8-13-19-27)28-20-14-9-15-21-28/h7-21,25H,22-24H2,1-6H3/q+1/t25-/m0/s1
InChIKeyBSCMREQQEFICTA-VWLOTQADSA-N
MW463.70 g/mol
LogP7.03
Rot. Bonds9

About [(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-triphenylphosphanium

[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-triphenylphosphanium (PubChem CID 11410748) has the molecular formula C29H40OPSi+ and a molecular weight of 463.70 g/mol. Its IUPAC name is [(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-triphenylphosphanium
PubChem CID11410748
Molecular FormulaC29H40OPSi+
Molecular Weight463.70 g/mol
Exact Mass463.26
IUPAC Name[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-triphenylphosphanium
SMILESC[C@@H](CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H40OPSi/c1-25(24-30-32(5,6)29(2,3)4)22-23-31(26-16-10-7-11-17-26,27-18-12-8-13-19-27)28-20-14-9-15-21-28/h7-21,25H,22-24H2,1-6H3/q+1/t25-/m0/s1
InChIKeyBSCMREQQEFICTA-VWLOTQADSA-N
XLogP7.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.70
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[(2S)-2-methyl-3-phenoxypropoxy]silane
CID 141099859
tert-butyl-[(2R,3S)-3-deuterio-2-methyl-3-phenylpropoxy]-dimethylsilane
CID 177106743
[(2S)-2-methyl-3-trimethylsilyloxypropyl]-triphenylphosphanium
CID 14764474
5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol
CID 14758907
2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine
CID 11459395
triphenyl-[(3R,7R)-3,7,11-trimethyldodecyl]phosphanium bromide
CID 10840468
tert-butyl-dimethyl-[(2S)-2-methylbutoxy]silane
CID 133082116
[(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylmethoxypentyl]-triphenylphosphanium
CID 11204825
(2-azido-3-phenylpropoxy)-tert-butyl-dimethylsilane
CID 151887503
[(2S)-2-azido-3-phenylpropoxy]-tert-butyl-dimethylsilane
CID 154709006
(2R)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 129403826
tert-butyl-[(2R,3R)-2,3-dichloro-5-phenylpentoxy]-dimethylsilane
CID 86287443

Frequently Asked Questions

What is the IUPAC name of [(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-triphenylphosphanium?
The IUPAC name of [(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-triphenylphosphanium (CID 11410748) is [(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-triphenylphosphanium.
What is the SMILES notation for [(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-triphenylphosphanium?
The canonical SMILES for [(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-triphenylphosphanium is C[C@@H](CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-triphenylphosphanium?
The InChIKey is BSCMREQQEFICTA-VWLOTQADSA-N. The full InChI is InChI=1S/C29H40OPSi/c1-25(24-30-32(5,6)29(2,3)4)22-23-31(26-16-10-7-11-17-26,27-18-12-8-13-19-27)28-20-14-9-15-21-28/h7-21,25H,22-24H2,1-6H3/q+1/t25-/m0/s1.
What are the key properties of [(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-triphenylphosphanium?
[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-triphenylphosphanium has a molecular weight of 463.70 g/mol, XLogP of 7.03, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-triphenylphosphanium is sourced from PubChem (CID 11410748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).