ethyl (2S,3S,4R,5S)-3-hydroxy-2,4-dimethyl-5-phenyl-5-triethylsilyloxypentanoate

C21H36O4Si — CID 132570563

IUPACethyl (2S,3S,4R,5S)-3-hydroxy-2,4-dimethyl-5-phenyl-5-triethylsilyloxypentanoate
SMILESCCOC(=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O[Si](CC)(CC)CC)c1ccccc1
InChIInChI=1S/C21H36O4Si/c1-7-24-21(23)17(6)19(22)16(5)20(18-14-12-11-13-15-18)25-26(8-2,9-3)10-4/h11-17,19-20,22H,7-10H2,1-6H3/t16-,17+,19+,20+/m1/s1
InChIKeyCUXCBFHULVOCPF-UMGGQSCQSA-N
MW380.60 g/mol
LogP4.95
Rot. Bonds11

About ethyl (2S,3S,4R,5S)-3-hydroxy-2,4-dimethyl-5-phenyl-5-triethylsilyloxypentanoate

ethyl (2S,3S,4R,5S)-3-hydroxy-2,4-dimethyl-5-phenyl-5-triethylsilyloxypentanoate (PubChem CID 132570563) has the molecular formula C21H36O4Si and a molecular weight of 380.60 g/mol. Its IUPAC name is ethyl (2S,3S,4R,5S)-3-hydroxy-2,4-dimethyl-5-phenyl-5-triethylsilyloxypentanoate.

Molecular Properties

Compound Nameethyl (2S,3S,4R,5S)-3-hydroxy-2,4-dimethyl-5-phenyl-5-triethylsilyloxypentanoate
PubChem CID132570563
Molecular FormulaC21H36O4Si
Molecular Weight380.60 g/mol
Exact Mass380.24
IUPAC Nameethyl (2S,3S,4R,5S)-3-hydroxy-2,4-dimethyl-5-phenyl-5-triethylsilyloxypentanoate
SMILESCCOC(=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O[Si](CC)(CC)CC)c1ccccc1
InChIInChI=1S/C21H36O4Si/c1-7-24-21(23)17(6)19(22)16(5)20(18-14-12-11-13-15-18)25-26(8-2,9-3)10-4/h11-17,19-20,22H,7-10H2,1-6H3/t16-,17+,19+,20+/m1/s1
InChIKeyCUXCBFHULVOCPF-UMGGQSCQSA-N
XLogP4.95
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.60
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2R,3R,4R,5S)-3,5-dihydroxy-2,4-dimethyl-5-phenylpentanoate
CID 101157464
ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10013279
(2S)-1-phenyl-2-[(S)-phenyl(triethylsilyloxy)methyl]butan-1-one
CID 101269774
ethyl (2R,3S)-3-amino-2-methyl-3-phenylpropanoate
CID 142202479
1,1,1,3,3,3-hexafluoropropan-2-yl (3S,4S,5S)-3-hydroxy-4-methyl-2-methylidene-5-phenyl-5-triethylsilyloxypentanoate
CID 132570553
1,1,1,3,3,3-hexafluoropropan-2-yl (3R,4S,5S)-3-hydroxy-4-methyl-2-methylidene-5-phenyl-5-triethylsilyloxypentanoate
CID 132570554
ethyl (2S)-2-phenylpropanoate
CID 7204861
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]peroxy-2-methyl-3-phenylpropanoate
CID 134918633
ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]peroxy-2-methyl-3-phenylpropanoate
CID 134927879
ethyl 2-amino-3-hydroxy-4-phenylpentanoate
CID 66205533
ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride
CID 174768847

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3S,4R,5S)-3-hydroxy-2,4-dimethyl-5-phenyl-5-triethylsilyloxypentanoate?
The IUPAC name of ethyl (2S,3S,4R,5S)-3-hydroxy-2,4-dimethyl-5-phenyl-5-triethylsilyloxypentanoate (CID 132570563) is ethyl (2S,3S,4R,5S)-3-hydroxy-2,4-dimethyl-5-phenyl-5-triethylsilyloxypentanoate.
What is the SMILES notation for ethyl (2S,3S,4R,5S)-3-hydroxy-2,4-dimethyl-5-phenyl-5-triethylsilyloxypentanoate?
The canonical SMILES for ethyl (2S,3S,4R,5S)-3-hydroxy-2,4-dimethyl-5-phenyl-5-triethylsilyloxypentanoate is CCOC(=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O[Si](CC)(CC)CC)c1ccccc1.
What is the InChIKey of ethyl (2S,3S,4R,5S)-3-hydroxy-2,4-dimethyl-5-phenyl-5-triethylsilyloxypentanoate?
The InChIKey is CUXCBFHULVOCPF-UMGGQSCQSA-N. The full InChI is InChI=1S/C21H36O4Si/c1-7-24-21(23)17(6)19(22)16(5)20(18-14-12-11-13-15-18)25-26(8-2,9-3)10-4/h11-17,19-20,22H,7-10H2,1-6H3/t16-,17+,19+,20+/m1/s1.
What are the key properties of ethyl (2S,3S,4R,5S)-3-hydroxy-2,4-dimethyl-5-phenyl-5-triethylsilyloxypentanoate?
ethyl (2S,3S,4R,5S)-3-hydroxy-2,4-dimethyl-5-phenyl-5-triethylsilyloxypentanoate has a molecular weight of 380.60 g/mol, XLogP of 4.95, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3S,4R,5S)-3-hydroxy-2,4-dimethyl-5-phenyl-5-triethylsilyloxypentanoate is sourced from PubChem (CID 132570563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).