cyclopentyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-3-phenylpropanoate

C20H32O3Si — CID 10450451

IUPACcyclopentyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-3-phenylpropanoate
SMILESCC(C)(C)[Si](C)(C)[C@@H](C(=O)OC1CCCC1)[C@H](O)c1ccccc1
InChIInChI=1S/C20H32O3Si/c1-20(2,3)24(4,5)18(17(21)15-11-7-6-8-12-15)19(22)23-16-13-9-10-14-16/h6-8,11-12,16-18,21H,9-10,13-14H2,1-5H3/t17-,18-/m1/s1
InChIKeyLEJSTIMLRSCFME-QZTJIDSGSA-N
MW348.56 g/mol
LogP5.08
Rot. Bonds5

About cyclopentyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-3-phenylpropanoate

cyclopentyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-3-phenylpropanoate (PubChem CID 10450451) has the molecular formula C20H32O3Si and a molecular weight of 348.56 g/mol. Its IUPAC name is cyclopentyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-3-phenylpropanoate.

Molecular Properties

Compound Namecyclopentyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-3-phenylpropanoate
PubChem CID10450451
Molecular FormulaC20H32O3Si
Molecular Weight348.56 g/mol
Exact Mass348.21
IUPAC Namecyclopentyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-3-phenylpropanoate
SMILESCC(C)(C)[Si](C)(C)[C@@H](C(=O)OC1CCCC1)[C@H](O)c1ccccc1
InChIInChI=1S/C20H32O3Si/c1-20(2,3)24(4,5)18(17(21)15-11-7-6-8-12-15)19(22)23-16-13-9-10-14-16/h6-8,11-12,16-18,21H,9-10,13-14H2,1-5H3/t17-,18-/m1/s1
InChIKeyLEJSTIMLRSCFME-QZTJIDSGSA-N
XLogP5.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.56
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-5-phenylpentanoate
CID 10453020
cyclohexyl 3,3,3-trifluoro-2-phenylpropanoate
CID 142194176
dicyclohexyl 2-phenylpropanedioate
CID 130210180
cyclohexyl (2R,3R)-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanoate
CID 100941161
cyclohexyl 2-[(1-hydroxy-1-phenylpropan-2-yl)amino]acetate
CID 110183811
cyclopentyl 2-amino-2-phenylpropanoate
CID 62488557
2-chloro-N-cyclopentyloxy-2-phenylacetamide
CID 83228662
(2S,3S)-3-hydroxy-3-phenyl-2-trimethylsilylpropanoic acid
CID 10988339
tert-butyl 2-(1-hydroxy-1-phenylpropan-2-yl)piperidine-1-carboxylate
CID 103724645
(R)-[tert-butyl(dimethyl)silyl]-phenylmethanol
CID 101051972
cyclopentyl 2-(4-methoxyphenyl)sulfanyl-2-phenylacetate
CID 175065739
cyclohexyl 2-(4-phenylphenoxy)propanoate
CID 23961617

Frequently Asked Questions

What is the IUPAC name of cyclopentyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-3-phenylpropanoate?
The IUPAC name of cyclopentyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-3-phenylpropanoate (CID 10450451) is cyclopentyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-3-phenylpropanoate.
What is the SMILES notation for cyclopentyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-3-phenylpropanoate?
The canonical SMILES for cyclopentyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-3-phenylpropanoate is CC(C)(C)[Si](C)(C)[C@@H](C(=O)OC1CCCC1)[C@H](O)c1ccccc1.
What is the InChIKey of cyclopentyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-3-phenylpropanoate?
The InChIKey is LEJSTIMLRSCFME-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H32O3Si/c1-20(2,3)24(4,5)18(17(21)15-11-7-6-8-12-15)19(22)23-16-13-9-10-14-16/h6-8,11-12,16-18,21H,9-10,13-14H2,1-5H3/t17-,18-/m1/s1.
What are the key properties of cyclopentyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-3-phenylpropanoate?
cyclopentyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-3-phenylpropanoate has a molecular weight of 348.56 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-3-phenylpropanoate is sourced from PubChem (CID 10450451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).