cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-5-phenylpentanoate

C23H38O3Si — CID 10453020

IUPACcyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-5-phenylpentanoate
SMILESCC(C)(C)[Si](C)(C)[C@@H](C(=O)OC1CCCCC1)[C@@H](O)CCc1ccccc1
InChIInChI=1S/C23H38O3Si/c1-23(2,3)27(4,5)21(22(25)26-19-14-10-7-11-15-19)20(24)17-16-18-12-8-6-9-13-18/h6,8-9,12-13,19-21,24H,7,10-11,14-17H2,1-5H3/t20-,21+/m0/s1
InChIKeyLIMJMJSJZVDIMM-LEWJYISDSA-N
MW390.64 g/mol
LogP5.73
Rot. Bonds7

About cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-5-phenylpentanoate

cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-5-phenylpentanoate (PubChem CID 10453020) has the molecular formula C23H38O3Si and a molecular weight of 390.64 g/mol. Its IUPAC name is cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-5-phenylpentanoate.

Molecular Properties

Compound Namecyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-5-phenylpentanoate
PubChem CID10453020
Molecular FormulaC23H38O3Si
Molecular Weight390.64 g/mol
Exact Mass390.26
IUPAC Namecyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-5-phenylpentanoate
SMILESCC(C)(C)[Si](C)(C)[C@@H](C(=O)OC1CCCCC1)[C@@H](O)CCc1ccccc1
InChIInChI=1S/C23H38O3Si/c1-23(2,3)27(4,5)21(22(25)26-19-14-10-7-11-15-19)20(24)17-16-18-12-8-6-9-13-18/h6,8-9,12-13,19-21,24H,7,10-11,14-17H2,1-5H3/t20-,21+/m0/s1
InChIKeyLIMJMJSJZVDIMM-LEWJYISDSA-N
XLogP5.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.64
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-5-phenylpentanoate 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

cyclopentyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-3-phenylpropanoate
CID 10450451
dicyclohexyl 2-(4-phenylbutyl)propanedioate
CID 141391882
(4-methylcyclohexyl) (2S)-2-amino-4-phenylbutanoate
CID 104983525
cyclooctyl (2S)-2-amino-3-phenylpropanoate
CID 155077382
cyclodecyl (2S)-2-amino-3-phenylpropanoate
CID 166650895
cyclohexyl (2S)-2-(methylamino)-3-phenylpropanoate
CID 155077226
cyclooctyl (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-phenylbutanoate
CID 146517450
cyclododecyl 4-phenylbutanoate
CID 23159480
(3,4-dimethylcyclohexyl) (2S)-2-amino-4-phenylbutanoate
CID 104983557
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentan-3-ol
CID 57308546
cyclohexyl 3,3,3-trifluoro-2-phenylpropanoate
CID 142194176
dicyclohexyl 2-phenylpropanedioate
CID 130210180

Frequently Asked Questions

What is the IUPAC name of cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-5-phenylpentanoate?
The IUPAC name of cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-5-phenylpentanoate (CID 10453020) is cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-5-phenylpentanoate.
What is the SMILES notation for cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-5-phenylpentanoate?
The canonical SMILES for cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-5-phenylpentanoate is CC(C)(C)[Si](C)(C)[C@@H](C(=O)OC1CCCCC1)[C@@H](O)CCc1ccccc1.
What is the InChIKey of cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-5-phenylpentanoate?
The InChIKey is LIMJMJSJZVDIMM-LEWJYISDSA-N. The full InChI is InChI=1S/C23H38O3Si/c1-23(2,3)27(4,5)21(22(25)26-19-14-10-7-11-15-19)20(24)17-16-18-12-8-6-9-13-18/h6,8-9,12-13,19-21,24H,7,10-11,14-17H2,1-5H3/t20-,21+/m0/s1.
What are the key properties of cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-5-phenylpentanoate?
cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-5-phenylpentanoate has a molecular weight of 390.64 g/mol, XLogP of 5.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-5-phenylpentanoate is sourced from PubChem (CID 10453020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).