tert-butyl-[(2S,3S,5S)-5-[(2S)-oxiran-2-yl]-2-pentyloxolan-3-yl]oxy-diphenylsilane

C27H38O3Si — CID 11316578

IUPACtert-butyl-[(2S,3S,5S)-5-[(2S)-oxiran-2-yl]-2-pentyloxolan-3-yl]oxy-diphenylsilane
SMILESCCCCC[C@@H]1O[C@H]([C@@H]2CO2)C[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H38O3Si/c1-5-6-9-18-23-25(19-24(29-23)26-20-28-26)30-31(27(2,3)4,21-14-10-7-11-15-21)22-16-12-8-13-17-22/h7-8,10-17,23-26H,5-6,9,18-20H2,1-4H3/t23-,24-,25-,26-/m0/s1
InChIKeyXLUQHBCPVPIORU-CQJMVLFOSA-N
MW438.68 g/mol
LogP5.07
Rot. Bonds9

About tert-butyl-[(2S,3S,5S)-5-[(2S)-oxiran-2-yl]-2-pentyloxolan-3-yl]oxy-diphenylsilane

tert-butyl-[(2S,3S,5S)-5-[(2S)-oxiran-2-yl]-2-pentyloxolan-3-yl]oxy-diphenylsilane (PubChem CID 11316578) has the molecular formula C27H38O3Si and a molecular weight of 438.68 g/mol. Its IUPAC name is tert-butyl-[(2S,3S,5S)-5-[(2S)-oxiran-2-yl]-2-pentyloxolan-3-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3S,5S)-5-[(2S)-oxiran-2-yl]-2-pentyloxolan-3-yl]oxy-diphenylsilane
PubChem CID11316578
Molecular FormulaC27H38O3Si
Molecular Weight438.68 g/mol
Exact Mass438.26
IUPAC Nametert-butyl-[(2S,3S,5S)-5-[(2S)-oxiran-2-yl]-2-pentyloxolan-3-yl]oxy-diphenylsilane
SMILESCCCCC[C@@H]1O[C@H]([C@@H]2CO2)C[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H38O3Si/c1-5-6-9-18-23-25(19-24(29-23)26-20-28-26)30-31(27(2,3)4,21-14-10-7-11-15-21)22-16-12-8-13-17-22/h7-8,10-17,23-26H,5-6,9,18-20H2,1-4H3/t23-,24-,25-,26-/m0/s1
InChIKeyXLUQHBCPVPIORU-CQJMVLFOSA-N
XLogP5.07
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.68
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3S,5S)-5-[(2S)-oxiran-2-yl]-2-pentyloxolan-3-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(2S,3S,5S)-5-[(2S)-oxiran-2-yl]-2-pentyloxolan-3-yl]oxy-diphenylsilane (CID 11316578) is tert-butyl-[(2S,3S,5S)-5-[(2S)-oxiran-2-yl]-2-pentyloxolan-3-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2S,3S,5S)-5-[(2S)-oxiran-2-yl]-2-pentyloxolan-3-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(2S,3S,5S)-5-[(2S)-oxiran-2-yl]-2-pentyloxolan-3-yl]oxy-diphenylsilane is CCCCC[C@@H]1O[C@H]([C@@H]2CO2)C[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S,3S,5S)-5-[(2S)-oxiran-2-yl]-2-pentyloxolan-3-yl]oxy-diphenylsilane?
The InChIKey is XLUQHBCPVPIORU-CQJMVLFOSA-N. The full InChI is InChI=1S/C27H38O3Si/c1-5-6-9-18-23-25(19-24(29-23)26-20-28-26)30-31(27(2,3)4,21-14-10-7-11-15-21)22-16-12-8-13-17-22/h7-8,10-17,23-26H,5-6,9,18-20H2,1-4H3/t23-,24-,25-,26-/m0/s1.
What are the key properties of tert-butyl-[(2S,3S,5S)-5-[(2S)-oxiran-2-yl]-2-pentyloxolan-3-yl]oxy-diphenylsilane?
tert-butyl-[(2S,3S,5S)-5-[(2S)-oxiran-2-yl]-2-pentyloxolan-3-yl]oxy-diphenylsilane has a molecular weight of 438.68 g/mol, XLogP of 5.07, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3S,5S)-5-[(2S)-oxiran-2-yl]-2-pentyloxolan-3-yl]oxy-diphenylsilane is sourced from PubChem (CID 11316578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).