ethyl (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8-phenyloctanoate

C22H38O4Si — CID 134970321

IUPACethyl (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8-phenyloctanoate
SMILESCCOC(=O)C[C@H](O)C[C@@H](CCCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H38O4Si/c1-7-25-21(24)17-19(23)16-20(26-27(5,6)22(2,3)4)15-11-14-18-12-9-8-10-13-18/h8-10,12-13,19-20,23H,7,11,14-17H2,1-6H3/t19-,20-/m1/s1
InChIKeyDAKCUBADARUYFV-WOJBJXKFSA-N
MW394.63 g/mol
LogP5.10
Rot. Bonds11

About ethyl (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8-phenyloctanoate

ethyl (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8-phenyloctanoate (PubChem CID 134970321) has the molecular formula C22H38O4Si and a molecular weight of 394.63 g/mol. Its IUPAC name is ethyl (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8-phenyloctanoate.

Molecular Properties

Compound Nameethyl (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8-phenyloctanoate
PubChem CID134970321
Molecular FormulaC22H38O4Si
Molecular Weight394.63 g/mol
Exact Mass394.25
IUPAC Nameethyl (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8-phenyloctanoate
SMILESCCOC(=O)C[C@H](O)C[C@@H](CCCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H38O4Si/c1-7-25-21(24)17-19(23)16-20(26-27(5,6)22(2,3)4)15-11-14-18-12-9-8-10-13-18/h8-10,12-13,19-20,23H,7,11,14-17H2,1-6H3/t19-,20-/m1/s1
InChIKeyDAKCUBADARUYFV-WOJBJXKFSA-N
XLogP5.10
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.63
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8-phenyloctanoate 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

3,5-Dihydroxy-7-phenyl-heptanoic acid
CID 20293721
methyl (2R,3R)-2-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]-3-hydroxybutanoate
CID 13571996
methyl (2R,3S)-2-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]-3-hydroxybutanoate
CID 13571997
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
(S)-5-hydroxy-3-oxo-7-phenyl-heptanoic acid tert-butyl ester
CID 11055444
Ethyl 3-hydroxy-5-phenylpentanoate
CID 11401792
ethyl (3S)-3-hydroxy-5-phenylpentanoate
CID 11651476
propan-2-yl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentanoate
CID 58567270
(3R)-4-[(2S,6R)-6-[(2R,4S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enyl]oxan-2-yl]-3-[tert-butyl(diphenyl)silyl]oxybutanoic acid
CID 89570696
Methyl (R)-3-((tert-butyldimethylsilyl)oxy)-3-methyl-5-phenylpentanoate
CID 132990795
3-[Ditert-butyl(fluoro)silyl]oxy-5-phenylpentanoic acid
CID 10970287

Frequently Asked Questions

What is the IUPAC name of ethyl (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8-phenyloctanoate?
The IUPAC name of ethyl (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8-phenyloctanoate (CID 134970321) is ethyl (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8-phenyloctanoate.
What is the SMILES notation for ethyl (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8-phenyloctanoate?
The canonical SMILES for ethyl (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8-phenyloctanoate is CCOC(=O)C[C@H](O)C[C@@H](CCCc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8-phenyloctanoate?
The InChIKey is DAKCUBADARUYFV-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H38O4Si/c1-7-25-21(24)17-19(23)16-20(26-27(5,6)22(2,3)4)15-11-14-18-12-9-8-10-13-18/h8-10,12-13,19-20,23H,7,11,14-17H2,1-6H3/t19-,20-/m1/s1.
What are the key properties of ethyl (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8-phenyloctanoate?
ethyl (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8-phenyloctanoate has a molecular weight of 394.63 g/mol, XLogP of 5.10, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-8-phenyloctanoate is sourced from PubChem (CID 134970321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).