tert-butyl-[(4S)-5-[(2R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-4-methylpentoxy]-diphenylsilane

C28H40O3Si — CID 11476513

IUPACtert-butyl-[(4S)-5-[(2R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-4-methylpentoxy]-diphenylsilane
SMILESCOC1C=CC[C@@H](C[C@@H](C)CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C28H40O3Si/c1-23(22-24-15-12-20-27(29-5)31-24)14-13-21-30-32(28(2,3)4,25-16-8-6-9-17-25)26-18-10-7-11-19-26/h6-12,16-20,23-24,27H,13-15,21-22H2,1-5H3/t23-,24-,27?/m0/s1
InChIKeyLBLQDFJQCYSITI-HFKGTQBBSA-N
MW452.71 g/mol
LogP5.69
Rot. Bonds10

About tert-butyl-[(4S)-5-[(2R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-4-methylpentoxy]-diphenylsilane

tert-butyl-[(4S)-5-[(2R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-4-methylpentoxy]-diphenylsilane (PubChem CID 11476513) has the molecular formula C28H40O3Si and a molecular weight of 452.71 g/mol. Its IUPAC name is tert-butyl-[(4S)-5-[(2R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-4-methylpentoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(4S)-5-[(2R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-4-methylpentoxy]-diphenylsilane
PubChem CID11476513
Molecular FormulaC28H40O3Si
Molecular Weight452.71 g/mol
Exact Mass452.27
IUPAC Nametert-butyl-[(4S)-5-[(2R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-4-methylpentoxy]-diphenylsilane
SMILESCOC1C=CC[C@@H](C[C@@H](C)CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C28H40O3Si/c1-23(22-24-15-12-20-27(29-5)31-24)14-13-21-30-32(28(2,3)4,25-16-8-6-9-17-25)26-18-10-7-11-19-26/h6-12,16-20,23-24,27H,13-15,21-22H2,1-5H3/t23-,24-,27?/m0/s1
InChIKeyLBLQDFJQCYSITI-HFKGTQBBSA-N
XLogP5.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.71
LogP ≤ 55.69
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4S)-5-[(2R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-4-methylpentoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(4S)-5-[(2R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-4-methylpentoxy]-diphenylsilane (CID 11476513) is tert-butyl-[(4S)-5-[(2R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-4-methylpentoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(4S)-5-[(2R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-4-methylpentoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(4S)-5-[(2R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-4-methylpentoxy]-diphenylsilane is COC1C=CC[C@@H](C[C@@H](C)CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[(4S)-5-[(2R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-4-methylpentoxy]-diphenylsilane?
The InChIKey is LBLQDFJQCYSITI-HFKGTQBBSA-N. The full InChI is InChI=1S/C28H40O3Si/c1-23(22-24-15-12-20-27(29-5)31-24)14-13-21-30-32(28(2,3)4,25-16-8-6-9-17-25)26-18-10-7-11-19-26/h6-12,16-20,23-24,27H,13-15,21-22H2,1-5H3/t23-,24-,27?/m0/s1.
What are the key properties of tert-butyl-[(4S)-5-[(2R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-4-methylpentoxy]-diphenylsilane?
tert-butyl-[(4S)-5-[(2R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-4-methylpentoxy]-diphenylsilane has a molecular weight of 452.71 g/mol, XLogP of 5.69, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4S)-5-[(2R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-4-methylpentoxy]-diphenylsilane is sourced from PubChem (CID 11476513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).