2-[3-[butoxy(dimethyl)silyl]propoxy]ethyl 2-bromopropanoate

C14H29BrO4Si — CID 140886266

IUPAC2-[3-[butoxy(dimethyl)silyl]propoxy]ethyl 2-bromopropanoate
SMILESCCCCO[Si](C)(C)CCCOCCOC(=O)C(C)Br
InChIInChI=1S/C14H29BrO4Si/c1-5-6-9-19-20(3,4)12-7-8-17-10-11-18-14(16)13(2)15/h13H,5-12H2,1-4H3
InChIKeyOPJQPWJAINXMFN-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.74
Rot. Bonds12

About 2-[3-[butoxy(dimethyl)silyl]propoxy]ethyl 2-bromopropanoate

2-[3-[butoxy(dimethyl)silyl]propoxy]ethyl 2-bromopropanoate (PubChem CID 140886266) has the molecular formula C14H29BrO4Si and a molecular weight of 369.37 g/mol. Its IUPAC name is 2-[3-[butoxy(dimethyl)silyl]propoxy]ethyl 2-bromopropanoate.

Molecular Properties

Compound Name2-[3-[butoxy(dimethyl)silyl]propoxy]ethyl 2-bromopropanoate
PubChem CID140886266
Molecular FormulaC14H29BrO4Si
Molecular Weight369.37 g/mol
Exact Mass368.10
IUPAC Name2-[3-[butoxy(dimethyl)silyl]propoxy]ethyl 2-bromopropanoate
SMILESCCCCO[Si](C)(C)CCCOCCOC(=O)C(C)Br
InChIInChI=1S/C14H29BrO4Si/c1-5-6-9-19-20(3,4)12-7-8-17-10-11-18-14(16)13(2)15/h13H,5-12H2,1-4H3
InChIKeyOPJQPWJAINXMFN-UHFFFAOYSA-N
XLogP3.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-[ethoxy(dimethyl)silyl]propyl (2S)-2-bromopropanoate
CID 124675355
2-[3-[dimethyl(pentoxy)silyl]propoxy]ethyl 2-methylprop-2-enoate
CID 139816464
3-[butoxy(dimethyl)silyl]propyl 2-ethoxycarbothioylsulfanylpropanoate
CID 154612070
2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 2-ethoxycarbothioylsulfanylpropanoate
CID 59620828
3-[butoxy(dimethyl)silyl]propyl prop-2-enoate
CID 142550479
3-bromopropyl-butoxy-dimethylsilane
CID 140743893
2-butoxyethyl (2R)-2-amino-3-methylbutanoate
CID 79009790
2-butoxyethyl 3-methyl-2-sulfanylbutanoate
CID 107018535
2-butoxyethyl 3-chloro-2-methylpropanoate
CID 175064019
2-bromo-N-(2-butoxyethyl)propanamide
CID 107904787
2-butoxyethyl 2-(methylamino)propanoate
CID 62638365
2-[3-[[[[[[[[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 2-methylprop-2-enoate
CID 59620846

Frequently Asked Questions

What is the IUPAC name of 2-[3-[butoxy(dimethyl)silyl]propoxy]ethyl 2-bromopropanoate?
The IUPAC name of 2-[3-[butoxy(dimethyl)silyl]propoxy]ethyl 2-bromopropanoate (CID 140886266) is 2-[3-[butoxy(dimethyl)silyl]propoxy]ethyl 2-bromopropanoate.
What is the SMILES notation for 2-[3-[butoxy(dimethyl)silyl]propoxy]ethyl 2-bromopropanoate?
The canonical SMILES for 2-[3-[butoxy(dimethyl)silyl]propoxy]ethyl 2-bromopropanoate is CCCCO[Si](C)(C)CCCOCCOC(=O)C(C)Br.
What is the InChIKey of 2-[3-[butoxy(dimethyl)silyl]propoxy]ethyl 2-bromopropanoate?
The InChIKey is OPJQPWJAINXMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29BrO4Si/c1-5-6-9-19-20(3,4)12-7-8-17-10-11-18-14(16)13(2)15/h13H,5-12H2,1-4H3.
What are the key properties of 2-[3-[butoxy(dimethyl)silyl]propoxy]ethyl 2-bromopropanoate?
2-[3-[butoxy(dimethyl)silyl]propoxy]ethyl 2-bromopropanoate has a molecular weight of 369.37 g/mol, XLogP of 3.74, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[butoxy(dimethyl)silyl]propoxy]ethyl 2-bromopropanoate is sourced from PubChem (CID 140886266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).