ethyl 2-[(2R,4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-phenyl-1,3-dioxan-4-yl]acetate

C22H36O5Si — CID 11441198

IUPACethyl 2-[(2R,4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-phenyl-1,3-dioxan-4-yl]acetate
SMILESCCOC(=O)C[C@H]1C[C@@H](CCO[Si](C)(C)C(C)(C)C)O[C@@H](c2ccccc2)O1
InChIInChI=1S/C22H36O5Si/c1-7-24-20(23)16-19-15-18(13-14-25-28(5,6)22(2,3)4)26-21(27-19)17-11-9-8-10-12-17/h8-12,18-19,21H,7,13-16H2,1-6H3/t18-,19-,21-/m1/s1
InChIKeyCKVJRMIEYPKJSY-SFHLNBCPSA-N
MW408.61 g/mol
LogP5.22
Rot. Bonds8

About ethyl 2-[(2R,4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-phenyl-1,3-dioxan-4-yl]acetate

ethyl 2-[(2R,4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-phenyl-1,3-dioxan-4-yl]acetate (PubChem CID 11441198) has the molecular formula C22H36O5Si and a molecular weight of 408.61 g/mol. Its IUPAC name is ethyl 2-[(2R,4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-phenyl-1,3-dioxan-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R,4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-phenyl-1,3-dioxan-4-yl]acetate
PubChem CID11441198
Molecular FormulaC22H36O5Si
Molecular Weight408.61 g/mol
Exact Mass408.23
IUPAC Nameethyl 2-[(2R,4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-phenyl-1,3-dioxan-4-yl]acetate
SMILESCCOC(=O)C[C@H]1C[C@@H](CCO[Si](C)(C)C(C)(C)C)O[C@@H](c2ccccc2)O1
InChIInChI=1S/C22H36O5Si/c1-7-24-20(23)16-19-15-18(13-14-25-28(5,6)22(2,3)4)26-21(27-19)17-11-9-8-10-12-17/h8-12,18-19,21H,7,13-16H2,1-6H3/t18-,19-,21-/m1/s1
InChIKeyCKVJRMIEYPKJSY-SFHLNBCPSA-N
XLogP5.22
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.61
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-[(2R,4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-phenyl-1,3-dioxan-4-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

benzyl 2-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]acetate
CID 12192987
Diisopropyl 7-phenyl-6,8-dioxaspiro[3.5]nonane-2,2-dicarboxylate
CID 56724841
L-Idopyranuronic acid, 3-O-(phenylmethyl)-, methyl ester, triacetate
CID 10862793
[(2R,3R,4R,6S)-6-[(2S,3S,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,4-dimethyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl] benzoate
CID 53386687
methyl 2-[(2R,4R,6R)-2-phenyl-6-(2-phenylethyl)-2-(trifluoromethyl)-1,3-dioxan-4-yl]acetate
CID 139192800
[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl] (2S,3R)-2-methyl-3-(oxan-2-yloxy)decanoate
CID 10972824
(2S,6R)-2-tert-butyl-6-phenyl-1,3-dioxan-4-one
CID 12027847
6,8-Dimethyl-7-phenylmethoxy-2,9-dioxabicyclo[3.3.1]nonan-3-one
CID 72820101
methyl 2-[(4R,6S)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-2-phenylethyl]-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]acetate
CID 134837499
methyl 2-[(4R,5R,6R)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-2-phenylethyl]-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CID 134837500
(2S,3S,5R)-5-(benzyloxy)-3-((tert-butyldimethylsilyl)oxy)-2-hexylhexadecanoic acid
CID 10348166
ethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate
CID 11342644

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R,4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-phenyl-1,3-dioxan-4-yl]acetate?
The IUPAC name of ethyl 2-[(2R,4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-phenyl-1,3-dioxan-4-yl]acetate (CID 11441198) is ethyl 2-[(2R,4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-phenyl-1,3-dioxan-4-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R,4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-phenyl-1,3-dioxan-4-yl]acetate?
The canonical SMILES for ethyl 2-[(2R,4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-phenyl-1,3-dioxan-4-yl]acetate is CCOC(=O)C[C@H]1C[C@@H](CCO[Si](C)(C)C(C)(C)C)O[C@@H](c2ccccc2)O1.
What is the InChIKey of ethyl 2-[(2R,4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-phenyl-1,3-dioxan-4-yl]acetate?
The InChIKey is CKVJRMIEYPKJSY-SFHLNBCPSA-N. The full InChI is InChI=1S/C22H36O5Si/c1-7-24-20(23)16-19-15-18(13-14-25-28(5,6)22(2,3)4)26-21(27-19)17-11-9-8-10-12-17/h8-12,18-19,21H,7,13-16H2,1-6H3/t18-,19-,21-/m1/s1.
What are the key properties of ethyl 2-[(2R,4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-phenyl-1,3-dioxan-4-yl]acetate?
ethyl 2-[(2R,4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-phenyl-1,3-dioxan-4-yl]acetate has a molecular weight of 408.61 g/mol, XLogP of 5.22, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R,4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-phenyl-1,3-dioxan-4-yl]acetate is sourced from PubChem (CID 11441198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).