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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-[2-[(2R,3R)-2-methyl-4,6,8-trioxadispiro[4.1.57.25]tetradec-11-en-3-yl]ethoxy]-diphenylsilane
CID 11179397
(6-methoxy-3,5-dimethyl-2-phenyl-3,6-dihydro-2H-pyran-4-yl)oxy-trimethylsilane
CID 13084979
tert-butyl-[(4S,6S)-6-(1-methoxyprop-2-enoxy)-4-methylnon-8-enoxy]-diphenylsilane
CID 11248642
[1-(1-Methoxy-2-phenylethoxy)ethyl]benzene
CID 106970
(3-(1-Methoxy-2-phenylethoxy)-1-propen-1-yl)benzene
CID 109367
tert-butyl-diphenyl-[(E)-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-2-enoxy]silane
CID 10623532
[(2S,4S,6S)-2-phenyl-6-[(E,1S)-1-phenylbut-2-enyl]-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane
CID 11179119
(2R,3R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(1,10-dioxaspiro[4.5]dec-6-en-2-yl)-2-methylpentan-3-ol
CID 11329413
[(2S,4S,6S)-2-phenyl-6-[(E,2R)-4-phenylbut-3-en-2-yl]-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane
CID 11386094
tert-butyl-[4-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]hepta-1,6-dien-4-yloxy]-dimethylsilane
CID 11430859
tert-butyl-[(3R,4R)-5-(1,10-dioxaspiro[4.5]dec-6-en-2-yl)-4-methyl-3-triethylsilyloxypentoxy]-diphenylsilane
CID 11467596
(Z,4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(1R,4S,6R)-6-(methoxymethoxy)-4-(methoxymethyl)cyclohex-2-en-1-yl]but-2-en-1-ol
CID 11511823

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).