tert-butyl-[(2R)-2-methyl-4-phenylmethoxybutoxy]-diphenylsilane

C28H36O2Si — CID 23727942

IUPACtert-butyl-[(2R)-2-methyl-4-phenylmethoxybutoxy]-diphenylsilane
SMILESC[C@H](CCOCc1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H36O2Si/c1-24(20-21-29-23-25-14-8-5-9-15-25)22-30-31(28(2,3)4,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-19,24H,20-23H2,1-4H3/t24-/m1/s1
InChIKeyQULBUJBGPVNKKB-XMMPIXPASA-N
MW432.68 g/mol
LogP5.81
Rot. Bonds10

About tert-butyl-[(2R)-2-methyl-4-phenylmethoxybutoxy]-diphenylsilane

tert-butyl-[(2R)-2-methyl-4-phenylmethoxybutoxy]-diphenylsilane (PubChem CID 23727942) has the molecular formula C28H36O2Si and a molecular weight of 432.68 g/mol. Its IUPAC name is tert-butyl-[(2R)-2-methyl-4-phenylmethoxybutoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R)-2-methyl-4-phenylmethoxybutoxy]-diphenylsilane
PubChem CID23727942
Molecular FormulaC28H36O2Si
Molecular Weight432.68 g/mol
Exact Mass432.25
IUPAC Nametert-butyl-[(2R)-2-methyl-4-phenylmethoxybutoxy]-diphenylsilane
SMILESC[C@H](CCOCc1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H36O2Si/c1-24(20-21-29-23-25-14-8-5-9-15-25)22-30-31(28(2,3)4,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-19,24H,20-23H2,1-4H3/t24-/m1/s1
InChIKeyQULBUJBGPVNKKB-XMMPIXPASA-N
XLogP5.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.68
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-2-methyl-4-phenylmethoxybutoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2R)-2-methyl-4-phenylmethoxybutoxy]-diphenylsilane (CID 23727942) is tert-butyl-[(2R)-2-methyl-4-phenylmethoxybutoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2R)-2-methyl-4-phenylmethoxybutoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2R)-2-methyl-4-phenylmethoxybutoxy]-diphenylsilane is C[C@H](CCOCc1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R)-2-methyl-4-phenylmethoxybutoxy]-diphenylsilane?
The InChIKey is QULBUJBGPVNKKB-XMMPIXPASA-N. The full InChI is InChI=1S/C28H36O2Si/c1-24(20-21-29-23-25-14-8-5-9-15-25)22-30-31(28(2,3)4,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-19,24H,20-23H2,1-4H3/t24-/m1/s1.
What are the key properties of tert-butyl-[(2R)-2-methyl-4-phenylmethoxybutoxy]-diphenylsilane?
tert-butyl-[(2R)-2-methyl-4-phenylmethoxybutoxy]-diphenylsilane has a molecular weight of 432.68 g/mol, XLogP of 5.81, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-2-methyl-4-phenylmethoxybutoxy]-diphenylsilane is sourced from PubChem (CID 23727942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).