2-bromo-2-methyl-7-trichlorosilylheptanoic acid

C8H14BrCl3O2Si — CID 175114487

IUPAC2-bromo-2-methyl-7-trichlorosilylheptanoic acid
SMILESCC(Br)(CCCCC[Si](Cl)(Cl)Cl)C(=O)O
InChIInChI=1S/C8H14BrCl3O2Si/c1-8(9,7(13)14)5-3-2-4-6-15(10,11)12/h2-6H2,1H3,(H,13,14)
InChIKeyZNLYPTGJGKBJLQ-UHFFFAOYSA-N
MW356.55 g/mol
LogP4.44
Rot. Bonds7

About 2-bromo-2-methyl-7-trichlorosilylheptanoic acid

2-bromo-2-methyl-7-trichlorosilylheptanoic acid (PubChem CID 175114487) has the molecular formula C8H14BrCl3O2Si and a molecular weight of 356.55 g/mol. Its IUPAC name is 2-bromo-2-methyl-7-trichlorosilylheptanoic acid.

Molecular Properties

Compound Name2-bromo-2-methyl-7-trichlorosilylheptanoic acid
PubChem CID175114487
Molecular FormulaC8H14BrCl3O2Si
Molecular Weight356.55 g/mol
Exact Mass353.90
IUPAC Name2-bromo-2-methyl-7-trichlorosilylheptanoic acid
SMILESCC(Br)(CCCCC[Si](Cl)(Cl)Cl)C(=O)O
InChIInChI=1S/C8H14BrCl3O2Si/c1-8(9,7(13)14)5-3-2-4-6-15(10,11)12/h2-6H2,1H3,(H,13,14)
InChIKeyZNLYPTGJGKBJLQ-UHFFFAOYSA-N
XLogP4.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.55
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-7-trichlorosilylheptanoic acid?
The IUPAC name of 2-bromo-2-methyl-7-trichlorosilylheptanoic acid (CID 175114487) is 2-bromo-2-methyl-7-trichlorosilylheptanoic acid.
What is the SMILES notation for 2-bromo-2-methyl-7-trichlorosilylheptanoic acid?
The canonical SMILES for 2-bromo-2-methyl-7-trichlorosilylheptanoic acid is CC(Br)(CCCCC[Si](Cl)(Cl)Cl)C(=O)O.
What is the InChIKey of 2-bromo-2-methyl-7-trichlorosilylheptanoic acid?
The InChIKey is ZNLYPTGJGKBJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrCl3O2Si/c1-8(9,7(13)14)5-3-2-4-6-15(10,11)12/h2-6H2,1H3,(H,13,14).
What are the key properties of 2-bromo-2-methyl-7-trichlorosilylheptanoic acid?
2-bromo-2-methyl-7-trichlorosilylheptanoic acid has a molecular weight of 356.55 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methyl-7-trichlorosilylheptanoic acid is sourced from PubChem (CID 175114487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).