ethyl 2-[(2S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyoxan-2-yl]acetate

C22H36O5Si — CID 178184643

IUPACethyl 2-[(2S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyoxan-2-yl]acetate
SMILESCCOC(=O)C[C@@H]1C[C@H](OCc2ccccc2)[C@@H](O[Si](C)(C)C(C)(C)C)CO1
InChIInChI=1S/C22H36O5Si/c1-7-24-21(23)14-18-13-19(26-15-17-11-9-8-10-12-17)20(16-25-18)27-28(5,6)22(2,3)4/h8-12,18-20H,7,13-16H2,1-6H3/t18-,19-,20-/m0/s1
InChIKeyDBNDQEIVWQMRBW-UFYCRDLUSA-N
MW408.61 g/mol
LogP4.70
Rot. Bonds8

About ethyl 2-[(2S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyoxan-2-yl]acetate

ethyl 2-[(2S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyoxan-2-yl]acetate (PubChem CID 178184643) has the molecular formula C22H36O5Si and a molecular weight of 408.61 g/mol. Its IUPAC name is ethyl 2-[(2S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyoxan-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyoxan-2-yl]acetate
PubChem CID178184643
Molecular FormulaC22H36O5Si
Molecular Weight408.61 g/mol
Exact Mass408.23
IUPAC Nameethyl 2-[(2S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyoxan-2-yl]acetate
SMILESCCOC(=O)C[C@@H]1C[C@H](OCc2ccccc2)[C@@H](O[Si](C)(C)C(C)(C)C)CO1
InChIInChI=1S/C22H36O5Si/c1-7-24-21(23)14-18-13-19(26-15-17-11-9-8-10-12-17)20(16-25-18)27-28(5,6)22(2,3)4/h8-12,18-20H,7,13-16H2,1-6H3/t18-,19-,20-/m0/s1
InChIKeyDBNDQEIVWQMRBW-UFYCRDLUSA-N
XLogP4.70
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.61
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-[(2S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyoxan-2-yl]acetate 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

(1R,2S,5S,10S,12E,14S,15S,16S,17S,18R)-1,17-Dihydroxy-10,18-dimethoxy-2,14,16-trimethyl-5-phenyl-4,19-dioxabicyclo(13.3.1)nonadec-12-en-3-one
CID 72725084
Acetic acid (2R,3R,4R,5R,6R)-3-acetoxy-5,6-diethoxy-8-oxo-2-phenyl-oxocan-4-yl ester
CID 10454124
benzyl 2-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]acetate
CID 12192987
methyl 2-[(2R,4S,5S,6R)-4,5-dihydroxy-6-phenyloxan-2-yl]acetate
CID 16079978
benzyl 2-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methoxy]acetate
CID 12192989
(3S,4R,5R)-3,4-dihydroxy-5-methyl-6-(phenylmethoxymethyl)oxan-2-one
CID 44289221
benzyl (E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 44420182
benzyl (Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 44420192
benzyl 2-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methoxy]acetate
CID 44438932
benzyl (E)-3-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methoxy]prop-2-enoate
CID 44438941
methyl 2-[(2R,4S,5S,6S)-4,5-dihydroxy-6-phenyloxan-2-yl]acetate
CID 162983830
(3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one
CID 134950416

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyoxan-2-yl]acetate?
The IUPAC name of ethyl 2-[(2S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyoxan-2-yl]acetate (CID 178184643) is ethyl 2-[(2S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyoxan-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyoxan-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyoxan-2-yl]acetate is CCOC(=O)C[C@@H]1C[C@H](OCc2ccccc2)[C@@H](O[Si](C)(C)C(C)(C)C)CO1.
What is the InChIKey of ethyl 2-[(2S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyoxan-2-yl]acetate?
The InChIKey is DBNDQEIVWQMRBW-UFYCRDLUSA-N. The full InChI is InChI=1S/C22H36O5Si/c1-7-24-21(23)14-18-13-19(26-15-17-11-9-8-10-12-17)20(16-25-18)27-28(5,6)22(2,3)4/h8-12,18-20H,7,13-16H2,1-6H3/t18-,19-,20-/m0/s1.
What are the key properties of ethyl 2-[(2S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyoxan-2-yl]acetate?
ethyl 2-[(2S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyoxan-2-yl]acetate has a molecular weight of 408.61 g/mol, XLogP of 4.70, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyoxan-2-yl]acetate is sourced from PubChem (CID 178184643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).