ethyl (E,2R)-5-bromo-2-methyl-2-triethylsilyloxypent-4-enoate

C14H27BrO3Si — CID 125493441

IUPACethyl (E,2R)-5-bromo-2-methyl-2-triethylsilyloxypent-4-enoate
SMILESCCOC(=O)[C@@](C)(C/C=C/Br)O[Si](CC)(CC)CC
InChIInChI=1S/C14H27BrO3Si/c1-6-17-13(16)14(5,11-10-12-15)18-19(7-2,8-3)9-4/h10,12H,6-9,11H2,1-5H3/b12-10+/t14-/m1/s1
InChIKeyLUIGGBIVPDYNTO-IEZBTEQYSA-N
MW351.36 g/mol
LogP4.63
Rot. Bonds9

About ethyl (E,2R)-5-bromo-2-methyl-2-triethylsilyloxypent-4-enoate

ethyl (E,2R)-5-bromo-2-methyl-2-triethylsilyloxypent-4-enoate (PubChem CID 125493441) has the molecular formula C14H27BrO3Si and a molecular weight of 351.36 g/mol. Its IUPAC name is ethyl (E,2R)-5-bromo-2-methyl-2-triethylsilyloxypent-4-enoate.

Molecular Properties

Compound Nameethyl (E,2R)-5-bromo-2-methyl-2-triethylsilyloxypent-4-enoate
PubChem CID125493441
Molecular FormulaC14H27BrO3Si
Molecular Weight351.36 g/mol
Exact Mass350.09
IUPAC Nameethyl (E,2R)-5-bromo-2-methyl-2-triethylsilyloxypent-4-enoate
SMILESCCOC(=O)[C@@](C)(C/C=C/Br)O[Si](CC)(CC)CC
InChIInChI=1S/C14H27BrO3Si/c1-6-17-13(16)14(5,11-10-12-15)18-19(7-2,8-3)9-4/h10,12H,6-9,11H2,1-5H3/b12-10+/t14-/m1/s1
InChIKeyLUIGGBIVPDYNTO-IEZBTEQYSA-N
XLogP4.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-methyl-2-(triethylsiloxy)-4-pentenoate
CID 129741661
Ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
CID 135086453
Ethyl 2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 171790674
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 11806891
ethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enoate
CID 101220207
ethyl (E,2S)-5-bromo-2-methyl-2-triethylsilyloxypent-4-enoate
CID 125493442
Methyl (R)-2-[(tert-Butyldimethylsilyl)oxy]-4-pentenoate
CID 177816725

Frequently Asked Questions

What is the IUPAC name of ethyl (E,2R)-5-bromo-2-methyl-2-triethylsilyloxypent-4-enoate?
The IUPAC name of ethyl (E,2R)-5-bromo-2-methyl-2-triethylsilyloxypent-4-enoate (CID 125493441) is ethyl (E,2R)-5-bromo-2-methyl-2-triethylsilyloxypent-4-enoate.
What is the SMILES notation for ethyl (E,2R)-5-bromo-2-methyl-2-triethylsilyloxypent-4-enoate?
The canonical SMILES for ethyl (E,2R)-5-bromo-2-methyl-2-triethylsilyloxypent-4-enoate is CCOC(=O)[C@@](C)(C/C=C/Br)O[Si](CC)(CC)CC.
What is the InChIKey of ethyl (E,2R)-5-bromo-2-methyl-2-triethylsilyloxypent-4-enoate?
The InChIKey is LUIGGBIVPDYNTO-IEZBTEQYSA-N. The full InChI is InChI=1S/C14H27BrO3Si/c1-6-17-13(16)14(5,11-10-12-15)18-19(7-2,8-3)9-4/h10,12H,6-9,11H2,1-5H3/b12-10+/t14-/m1/s1.
What are the key properties of ethyl (E,2R)-5-bromo-2-methyl-2-triethylsilyloxypent-4-enoate?
ethyl (E,2R)-5-bromo-2-methyl-2-triethylsilyloxypent-4-enoate has a molecular weight of 351.36 g/mol, XLogP of 4.63, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,2R)-5-bromo-2-methyl-2-triethylsilyloxypent-4-enoate is sourced from PubChem (CID 125493441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).