4-[chloro(dimethyl)silyl]butyl 2-bromopropanoate

C9H18BrClO2Si — CID 150415152

IUPAC4-[chloro(dimethyl)silyl]butyl 2-bromopropanoate
SMILESCC(Br)C(=O)OCCCC[Si](C)(C)Cl
InChIInChI=1S/C9H18BrClO2Si/c1-8(10)9(12)13-6-4-5-7-14(2,3)11/h8H,4-7H2,1-3H3
InChIKeyHGPWCDGDVTWQOF-UHFFFAOYSA-N
MW301.68 g/mol
LogP3.54
Rot. Bonds6

About 4-[chloro(dimethyl)silyl]butyl 2-bromopropanoate

4-[chloro(dimethyl)silyl]butyl 2-bromopropanoate (PubChem CID 150415152) has the molecular formula C9H18BrClO2Si and a molecular weight of 301.68 g/mol. Its IUPAC name is 4-[chloro(dimethyl)silyl]butyl 2-bromopropanoate.

Molecular Properties

Compound Name4-[chloro(dimethyl)silyl]butyl 2-bromopropanoate
PubChem CID150415152
Molecular FormulaC9H18BrClO2Si
Molecular Weight301.68 g/mol
Exact Mass299.99
IUPAC Name4-[chloro(dimethyl)silyl]butyl 2-bromopropanoate
SMILESCC(Br)C(=O)OCCCC[Si](C)(C)Cl
InChIInChI=1S/C9H18BrClO2Si/c1-8(10)9(12)13-6-4-5-7-14(2,3)11/h8H,4-7H2,1-3H3
InChIKeyHGPWCDGDVTWQOF-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.68
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

6-trichlorosilylhexyl 2-bromopropanoate
CID 59215465
3-(2-bromopropanoyloxy)propyl 2-bromopropanoate
CID 87557044
3-[ethoxy(dimethyl)silyl]propyl (2S)-2-bromopropanoate
CID 124675355
11-[chloro(dimethyl)silyl]undecyl 2,2-dimethylpropanoate
CID 101408302
6-trichlorosilylhexyl 3-bromo-2-methylpropanoate
CID 140615646
5-[chloro(dimethyl)silyl]pentyl but-2-enoate
CID 174106073
5-hydroperoxyhept-6-enyl 2-bromopropanoate
CID 58113192
6-trihydroxysilylhexyl 2-methylpropanoate
CID 102303066
2-bromopropanoyloxymethyl 2-bromopropanoate
CID 146451354
2-[3-[butoxy(dimethyl)silyl]propoxy]ethyl 2-bromopropanoate
CID 140886266
3-[chloro(dimethyl)silyl]propyl N-butylcarbamate
CID 18951454
7-trichlorosilylheptyl acetate
CID 150460177

Frequently Asked Questions

What is the IUPAC name of 4-[chloro(dimethyl)silyl]butyl 2-bromopropanoate?
The IUPAC name of 4-[chloro(dimethyl)silyl]butyl 2-bromopropanoate (CID 150415152) is 4-[chloro(dimethyl)silyl]butyl 2-bromopropanoate.
What is the SMILES notation for 4-[chloro(dimethyl)silyl]butyl 2-bromopropanoate?
The canonical SMILES for 4-[chloro(dimethyl)silyl]butyl 2-bromopropanoate is CC(Br)C(=O)OCCCC[Si](C)(C)Cl.
What is the InChIKey of 4-[chloro(dimethyl)silyl]butyl 2-bromopropanoate?
The InChIKey is HGPWCDGDVTWQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrClO2Si/c1-8(10)9(12)13-6-4-5-7-14(2,3)11/h8H,4-7H2,1-3H3.
What are the key properties of 4-[chloro(dimethyl)silyl]butyl 2-bromopropanoate?
4-[chloro(dimethyl)silyl]butyl 2-bromopropanoate has a molecular weight of 301.68 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro(dimethyl)silyl]butyl 2-bromopropanoate is sourced from PubChem (CID 150415152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).