methyl (2R,3S)-3-[dimethyl(phenyl)silyl]-2-[(R)-hydroxy(phenyl)methyl]butanoate

C20H26O3Si — CID 11035279

IUPACmethyl (2R,3S)-3-[dimethyl(phenyl)silyl]-2-[(R)-hydroxy(phenyl)methyl]butanoate
SMILESCOC(=O)[C@@H]([C@@H](O)c1ccccc1)[C@H](C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C20H26O3Si/c1-15(24(3,4)17-13-9-6-10-14-17)18(20(22)23-2)19(21)16-11-7-5-8-12-16/h5-15,18-19,21H,1-4H3/t15-,18+,19-/m0/s1
InChIKeyQSOSKVKKJGJISP-IPELMVKDSA-N
MW342.51 g/mol
LogP3.51
Rot. Bonds6

About methyl (2R,3S)-3-[dimethyl(phenyl)silyl]-2-[(R)-hydroxy(phenyl)methyl]butanoate

methyl (2R,3S)-3-[dimethyl(phenyl)silyl]-2-[(R)-hydroxy(phenyl)methyl]butanoate (PubChem CID 11035279) has the molecular formula C20H26O3Si and a molecular weight of 342.51 g/mol. Its IUPAC name is methyl (2R,3S)-3-[dimethyl(phenyl)silyl]-2-[(R)-hydroxy(phenyl)methyl]butanoate.

Molecular Properties

Compound Namemethyl (2R,3S)-3-[dimethyl(phenyl)silyl]-2-[(R)-hydroxy(phenyl)methyl]butanoate
PubChem CID11035279
Molecular FormulaC20H26O3Si
Molecular Weight342.51 g/mol
Exact Mass342.17
IUPAC Namemethyl (2R,3S)-3-[dimethyl(phenyl)silyl]-2-[(R)-hydroxy(phenyl)methyl]butanoate
SMILESCOC(=O)[C@@H]([C@@H](O)c1ccccc1)[C@H](C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C20H26O3Si/c1-15(24(3,4)17-13-9-6-10-14-17)18(20(22)23-2)19(21)16-11-7-5-8-12-16/h5-15,18-19,21H,1-4H3/t15-,18+,19-/m0/s1
InChIKeyQSOSKVKKJGJISP-IPELMVKDSA-N
XLogP3.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-3-[dimethyl(phenyl)silyl]-2-[(R)-hydroxy(phenyl)methyl]butanoate?
The IUPAC name of methyl (2R,3S)-3-[dimethyl(phenyl)silyl]-2-[(R)-hydroxy(phenyl)methyl]butanoate (CID 11035279) is methyl (2R,3S)-3-[dimethyl(phenyl)silyl]-2-[(R)-hydroxy(phenyl)methyl]butanoate.
What is the SMILES notation for methyl (2R,3S)-3-[dimethyl(phenyl)silyl]-2-[(R)-hydroxy(phenyl)methyl]butanoate?
The canonical SMILES for methyl (2R,3S)-3-[dimethyl(phenyl)silyl]-2-[(R)-hydroxy(phenyl)methyl]butanoate is COC(=O)[C@@H]([C@@H](O)c1ccccc1)[C@H](C)[Si](C)(C)c1ccccc1.
What is the InChIKey of methyl (2R,3S)-3-[dimethyl(phenyl)silyl]-2-[(R)-hydroxy(phenyl)methyl]butanoate?
The InChIKey is QSOSKVKKJGJISP-IPELMVKDSA-N. The full InChI is InChI=1S/C20H26O3Si/c1-15(24(3,4)17-13-9-6-10-14-17)18(20(22)23-2)19(21)16-11-7-5-8-12-16/h5-15,18-19,21H,1-4H3/t15-,18+,19-/m0/s1.
What are the key properties of methyl (2R,3S)-3-[dimethyl(phenyl)silyl]-2-[(R)-hydroxy(phenyl)methyl]butanoate?
methyl (2R,3S)-3-[dimethyl(phenyl)silyl]-2-[(R)-hydroxy(phenyl)methyl]butanoate has a molecular weight of 342.51 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-3-[dimethyl(phenyl)silyl]-2-[(R)-hydroxy(phenyl)methyl]butanoate is sourced from PubChem (CID 11035279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).