ethyl (4S,5R)-5-[dimethyl(phenyl)silyl]-4-methyl-5-phenylpentanoate

C22H30O2Si — CID 11725705

IUPACethyl (4S,5R)-5-[dimethyl(phenyl)silyl]-4-methyl-5-phenylpentanoate
SMILESCCOC(=O)CC[C@H](C)[C@H](c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C22H30O2Si/c1-5-24-21(23)17-16-18(2)22(19-12-8-6-9-13-19)25(3,4)20-14-10-7-11-15-20/h6-15,18,22H,5,16-17H2,1-4H3/t18-,22+/m0/s1
InChIKeyRDQXURALMFJNMG-PGRDOPGGSA-N
MW354.57 g/mol
LogP4.90
Rot. Bonds8

About ethyl (4S,5R)-5-[dimethyl(phenyl)silyl]-4-methyl-5-phenylpentanoate

ethyl (4S,5R)-5-[dimethyl(phenyl)silyl]-4-methyl-5-phenylpentanoate (PubChem CID 11725705) has the molecular formula C22H30O2Si and a molecular weight of 354.57 g/mol. Its IUPAC name is ethyl (4S,5R)-5-[dimethyl(phenyl)silyl]-4-methyl-5-phenylpentanoate.

Molecular Properties

Compound Nameethyl (4S,5R)-5-[dimethyl(phenyl)silyl]-4-methyl-5-phenylpentanoate
PubChem CID11725705
Molecular FormulaC22H30O2Si
Molecular Weight354.57 g/mol
Exact Mass354.20
IUPAC Nameethyl (4S,5R)-5-[dimethyl(phenyl)silyl]-4-methyl-5-phenylpentanoate
SMILESCCOC(=O)CC[C@H](C)[C@H](c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C22H30O2Si/c1-5-24-21(23)17-16-18(2)22(19-12-8-6-9-13-19)25(3,4)20-14-10-7-11-15-20/h6-15,18,22H,5,16-17H2,1-4H3/t18-,22+/m0/s1
InChIKeyRDQXURALMFJNMG-PGRDOPGGSA-N
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.57
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-methyl-6-phenylheptanoate
CID 158915322
ethyl (4S,6R)-6-hydroxy-4-phenylheptanoate
CID 10944846
ethyl 4-acetamido-4-phenylbutanoate
CID 132511328
ethyl 4-phenyl-4-phosphorosobutanoate
CID 174776094
ethyl 4-phenoxy-4-phenylbutanoate
CID 151980337
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
ethyl 4-methylpentanoate;ethyl 3-phenylpropanoate
CID 174922594
ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 121415297
(2R,3R)-2-[(S)-[dimethyl(phenyl)silyl]-phenylmethyl]-3-hydroxybutanoic acid
CID 99773408
[(1R,2S)-2-[dimethyl(phenyl)silyl]-1,2-diphenylethyl] benzoate
CID 154721488
ethyl 4-fluoro-3-phenylbutanoate
CID 121436006
ethyl (4S)-4-amino-5-phenylpentanoate
CID 46237823

Frequently Asked Questions

What is the IUPAC name of ethyl (4S,5R)-5-[dimethyl(phenyl)silyl]-4-methyl-5-phenylpentanoate?
The IUPAC name of ethyl (4S,5R)-5-[dimethyl(phenyl)silyl]-4-methyl-5-phenylpentanoate (CID 11725705) is ethyl (4S,5R)-5-[dimethyl(phenyl)silyl]-4-methyl-5-phenylpentanoate.
What is the SMILES notation for ethyl (4S,5R)-5-[dimethyl(phenyl)silyl]-4-methyl-5-phenylpentanoate?
The canonical SMILES for ethyl (4S,5R)-5-[dimethyl(phenyl)silyl]-4-methyl-5-phenylpentanoate is CCOC(=O)CC[C@H](C)[C@H](c1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of ethyl (4S,5R)-5-[dimethyl(phenyl)silyl]-4-methyl-5-phenylpentanoate?
The InChIKey is RDQXURALMFJNMG-PGRDOPGGSA-N. The full InChI is InChI=1S/C22H30O2Si/c1-5-24-21(23)17-16-18(2)22(19-12-8-6-9-13-19)25(3,4)20-14-10-7-11-15-20/h6-15,18,22H,5,16-17H2,1-4H3/t18-,22+/m0/s1.
What are the key properties of ethyl (4S,5R)-5-[dimethyl(phenyl)silyl]-4-methyl-5-phenylpentanoate?
ethyl (4S,5R)-5-[dimethyl(phenyl)silyl]-4-methyl-5-phenylpentanoate has a molecular weight of 354.57 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S,5R)-5-[dimethyl(phenyl)silyl]-4-methyl-5-phenylpentanoate is sourced from PubChem (CID 11725705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).