(1-chloro-3-dimethylsilylpropyl) 2-bromo-2-methylpropanoate

C9H18BrClO2Si — CID 154431438

IUPAC(1-chloro-3-dimethylsilylpropyl) 2-bromo-2-methylpropanoate
SMILESC[SiH](C)CCC(Cl)OC(=O)C(C)(C)Br
InChIInChI=1S/C9H18BrClO2Si/c1-9(2,10)8(12)13-7(11)5-6-14(3)4/h7,14H,5-6H2,1-4H3
InChIKeyVOQZFPNURBBTBZ-UHFFFAOYSA-N
MW301.68 g/mol
LogP3.14
Rot. Bonds5

About (1-chloro-3-dimethylsilylpropyl) 2-bromo-2-methylpropanoate

(1-chloro-3-dimethylsilylpropyl) 2-bromo-2-methylpropanoate (PubChem CID 154431438) has the molecular formula C9H18BrClO2Si and a molecular weight of 301.68 g/mol. Its IUPAC name is (1-chloro-3-dimethylsilylpropyl) 2-bromo-2-methylpropanoate.

Molecular Properties

Compound Name(1-chloro-3-dimethylsilylpropyl) 2-bromo-2-methylpropanoate
PubChem CID154431438
Molecular FormulaC9H18BrClO2Si
Molecular Weight301.68 g/mol
Exact Mass299.99
IUPAC Name(1-chloro-3-dimethylsilylpropyl) 2-bromo-2-methylpropanoate
SMILESC[SiH](C)CCC(Cl)OC(=O)C(C)(C)Br
InChIInChI=1S/C9H18BrClO2Si/c1-9(2,10)8(12)13-7(11)5-6-14(3)4/h7,14H,5-6H2,1-4H3
InChIKeyVOQZFPNURBBTBZ-UHFFFAOYSA-N
XLogP3.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.68
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-2-methylpropanoyl)oxybutyl 2-bromo-2-methylpropanoate
CID 141160624
1-aminopentyl 2-bromo-2-methylpropanoate
CID 89037828
hydroxymethyl 2-bromo-2-methylpropanoate
CID 23575450
ethane;ethyl 2-bromo-2-methylpropanoate
CID 142239978
1-chloropentyl 2-aminoacetate
CID 155272437
3-methylbut-2-enyl 2-bromo-2-methylpropanoate
CID 44514814
4-(2-bromo-2-methylpropanoyl)oxy-3-[(2-bromo-2-methylpropanoyl)oxymethyl]butanoic acid
CID 87324997
methylsulfanylmethoxymethyl 2-bromo-2-methylpropanoate
CID 59005631
[(2S,5S)-5-chlorohexan-2-yl] 2,2-dimethylpropanoate
CID 102352469
[2-[(2-bromo-2-methylpropanoyl)oxymethylamino]ethylamino]methyl 2-bromo-2-methylpropanoate
CID 20815853
2-[2-(2-bromo-2-methylpropanoyl)oxyethylsulfanyl]ethyl 2-bromo-2-methylpropanoate
CID 102204004
(2-bromo-2-methylpropanoyl)oxymethylphosphonic acid
CID 90190255

Frequently Asked Questions

What is the IUPAC name of (1-chloro-3-dimethylsilylpropyl) 2-bromo-2-methylpropanoate?
The IUPAC name of (1-chloro-3-dimethylsilylpropyl) 2-bromo-2-methylpropanoate (CID 154431438) is (1-chloro-3-dimethylsilylpropyl) 2-bromo-2-methylpropanoate.
What is the SMILES notation for (1-chloro-3-dimethylsilylpropyl) 2-bromo-2-methylpropanoate?
The canonical SMILES for (1-chloro-3-dimethylsilylpropyl) 2-bromo-2-methylpropanoate is C[SiH](C)CCC(Cl)OC(=O)C(C)(C)Br.
What is the InChIKey of (1-chloro-3-dimethylsilylpropyl) 2-bromo-2-methylpropanoate?
The InChIKey is VOQZFPNURBBTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrClO2Si/c1-9(2,10)8(12)13-7(11)5-6-14(3)4/h7,14H,5-6H2,1-4H3.
What are the key properties of (1-chloro-3-dimethylsilylpropyl) 2-bromo-2-methylpropanoate?
(1-chloro-3-dimethylsilylpropyl) 2-bromo-2-methylpropanoate has a molecular weight of 301.68 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-3-dimethylsilylpropyl) 2-bromo-2-methylpropanoate is sourced from PubChem (CID 154431438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).