3-[ethoxy(dimethyl)silyl]propyl (2S)-2-bromopropanoate

C10H21BrO3Si — CID 124675355

IUPAC3-[ethoxy(dimethyl)silyl]propyl (2S)-2-bromopropanoate
SMILESCCO[Si](C)(C)CCCOC(=O)[C@H](C)Br
InChIInChI=1S/C10H21BrO3Si/c1-5-14-15(3,4)8-6-7-13-10(12)9(2)11/h9H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyULFQZIIVESRZPK-VIFPVBQESA-N
MW297.26 g/mol
LogP2.94
Rot. Bonds7

About 3-[ethoxy(dimethyl)silyl]propyl (2S)-2-bromopropanoate

3-[ethoxy(dimethyl)silyl]propyl (2S)-2-bromopropanoate (PubChem CID 124675355) has the molecular formula C10H21BrO3Si and a molecular weight of 297.26 g/mol. Its IUPAC name is 3-[ethoxy(dimethyl)silyl]propyl (2S)-2-bromopropanoate.

Molecular Properties

Compound Name3-[ethoxy(dimethyl)silyl]propyl (2S)-2-bromopropanoate
PubChem CID124675355
Molecular FormulaC10H21BrO3Si
Molecular Weight297.26 g/mol
Exact Mass296.04
IUPAC Name3-[ethoxy(dimethyl)silyl]propyl (2S)-2-bromopropanoate
SMILESCCO[Si](C)(C)CCCOC(=O)[C@H](C)Br
InChIInChI=1S/C10H21BrO3Si/c1-5-14-15(3,4)8-6-7-13-10(12)9(2)11/h9H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyULFQZIIVESRZPK-VIFPVBQESA-N
XLogP2.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[butoxy(dimethyl)silyl]propoxy]ethyl 2-bromopropanoate
CID 140886266
3-(2-bromopropanoyloxy)propyl 2-bromopropanoate
CID 87557044
4-[chloro(dimethyl)silyl]butyl 2-bromopropanoate
CID 150415152
3-[1-bromoethoxy(diethoxy)silyl]propyl 2-methylpropanoate
CID 167435005
3-[butoxy(dimethyl)silyl]propyl 2-ethoxycarbothioylsulfanylpropanoate
CID 154612070
6-trichlorosilylhexyl 2-bromopropanoate
CID 59215465
ethyl (2R)-2-bromopropanoate
CID 7003709
ethoxy-[5-[ethoxy(dimethyl)silyl]pentyl]-dimethylsilane
CID 153321939
ethoxy-[18-[ethoxy(dimethyl)silyl]octadecyl]-dimethylsilane
CID 153321945
bis[3-[diethoxy(methyl)silyl]propyl] carbonate
CID 54561598
ethoxy-dimethyl-(7-methyloctyl)silane
CID 139725717
trimethylsilyl 3-[3-[ethoxy(dimethyl)silyl]propyl-trimethylsilylamino]-2-methylpropanoate
CID 88852108

Frequently Asked Questions

What is the IUPAC name of 3-[ethoxy(dimethyl)silyl]propyl (2S)-2-bromopropanoate?
The IUPAC name of 3-[ethoxy(dimethyl)silyl]propyl (2S)-2-bromopropanoate (CID 124675355) is 3-[ethoxy(dimethyl)silyl]propyl (2S)-2-bromopropanoate.
What is the SMILES notation for 3-[ethoxy(dimethyl)silyl]propyl (2S)-2-bromopropanoate?
The canonical SMILES for 3-[ethoxy(dimethyl)silyl]propyl (2S)-2-bromopropanoate is CCO[Si](C)(C)CCCOC(=O)[C@H](C)Br.
What is the InChIKey of 3-[ethoxy(dimethyl)silyl]propyl (2S)-2-bromopropanoate?
The InChIKey is ULFQZIIVESRZPK-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21BrO3Si/c1-5-14-15(3,4)8-6-7-13-10(12)9(2)11/h9H,5-8H2,1-4H3/t9-/m0/s1.
What are the key properties of 3-[ethoxy(dimethyl)silyl]propyl (2S)-2-bromopropanoate?
3-[ethoxy(dimethyl)silyl]propyl (2S)-2-bromopropanoate has a molecular weight of 297.26 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethoxy(dimethyl)silyl]propyl (2S)-2-bromopropanoate is sourced from PubChem (CID 124675355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).