[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] benzoate

C29H34O5Si — CID 59157894

IUPAC[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] benzoate
SMILESCOC1CC(OC(=O)c2ccccc2)[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C29H34O5Si/c1-29(2,3)35(23-16-10-6-11-17-23,24-18-12-7-13-19-24)32-21-26-25(20-27(31-4)33-26)34-28(30)22-14-8-5-9-15-22/h5-19,25-27H,20-21H2,1-4H3/t25?,26-,27?/m0/s1
InChIKeyKZHXHPQNIHMOKS-QLLQDVQFSA-N
MW490.67 g/mol
LogP4.55
Rot. Bonds8

About [(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] benzoate

[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] benzoate (PubChem CID 59157894) has the molecular formula C29H34O5Si and a molecular weight of 490.67 g/mol. Its IUPAC name is [(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] benzoate.

Molecular Properties

Compound Name[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] benzoate
PubChem CID59157894
Molecular FormulaC29H34O5Si
Molecular Weight490.67 g/mol
Exact Mass490.22
IUPAC Name[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] benzoate
SMILESCOC1CC(OC(=O)c2ccccc2)[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C29H34O5Si/c1-29(2,3)35(23-16-10-6-11-17-23,24-18-12-7-13-19-24)32-21-26-25(20-27(31-4)33-26)34-28(30)22-14-8-5-9-15-22/h5-19,25-27H,20-21H2,1-4H3/t25?,26-,27?/m0/s1
InChIKeyKZHXHPQNIHMOKS-QLLQDVQFSA-N
XLogP4.55
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.67
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] benzoate 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

[(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxyoxolan-3-yl] benzoate
CID 171122774
[(3S,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxyoxolan-3-yl] benzoate
CID 166444221
[(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-diethoxyphosphanyloxyoxolan-3-yl] 3,4,5-trimethoxybenzoate
CID 11115123
[(1S,2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-3-methylidenecyclopentyl] benzoate
CID 56651565
(2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolane-3-carbonitrile
CID 70226546
[(2R,5R)-3-benzoyloxy-5-(2-hydroxypropan-2-yloxy)oxolan-2-yl]methyl benzoate
CID 70918304
[(2R,3R,4R,6R)-4-benzoyloxy-6-methoxy-3-(trifluoromethylsulfonyloxy)oxan-2-yl]methyl benzoate
CID 89051207
[(2S,3R)-5-methoxy-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate
CID 10992623
[(2R,3R)-5-acetyloxy-3-benzoyloxyoxolan-2-yl]methyl benzoate
CID 71776144
[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]methyl 4-methylbenzenesulfonate
CID 23583995
[(2S,4R)-4-(benzenesulfonyl)-6-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 10973391
(2R,3R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2-hydroxypropan-2-yloxy)oxolan-3-ol
CID 144948924

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] benzoate?
The IUPAC name of [(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] benzoate (CID 59157894) is [(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] benzoate.
What is the SMILES notation for [(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] benzoate?
The canonical SMILES for [(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] benzoate is COC1CC(OC(=O)c2ccccc2)[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of [(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] benzoate?
The InChIKey is KZHXHPQNIHMOKS-QLLQDVQFSA-N. The full InChI is InChI=1S/C29H34O5Si/c1-29(2,3)35(23-16-10-6-11-17-23,24-18-12-7-13-19-24)32-21-26-25(20-27(31-4)33-26)34-28(30)22-14-8-5-9-15-22/h5-19,25-27H,20-21H2,1-4H3/t25?,26-,27?/m0/s1.
What are the key properties of [(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] benzoate?
[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] benzoate has a molecular weight of 490.67 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] benzoate is sourced from PubChem (CID 59157894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).