3-chloro-2,3-dimethyl-2-silylbutanoyl chloride

C6H12Cl2OSi — CID 154481227

IUPAC3-chloro-2,3-dimethyl-2-silylbutanoyl chloride
SMILESCC(C)(Cl)C(C)([SiH3])C(=O)Cl
InChIInChI=1S/C6H12Cl2OSi/c1-5(2,8)6(3,10)4(7)9/h1-3,10H3
InChIKeyYKWFKORNGHXEBS-UHFFFAOYSA-N
MW199.15 g/mol
LogP1.31
Rot. Bonds2

About 3-chloro-2,3-dimethyl-2-silylbutanoyl chloride

3-chloro-2,3-dimethyl-2-silylbutanoyl chloride (PubChem CID 154481227) has the molecular formula C6H12Cl2OSi and a molecular weight of 199.15 g/mol. Its IUPAC name is 3-chloro-2,3-dimethyl-2-silylbutanoyl chloride.

Molecular Properties

Compound Name3-chloro-2,3-dimethyl-2-silylbutanoyl chloride
PubChem CID154481227
Molecular FormulaC6H12Cl2OSi
Molecular Weight199.15 g/mol
Exact Mass198.00
IUPAC Name3-chloro-2,3-dimethyl-2-silylbutanoyl chloride
SMILESCC(C)(Cl)C(C)([SiH3])C(=O)Cl
InChIInChI=1S/C6H12Cl2OSi/c1-5(2,8)6(3,10)4(7)9/h1-3,10H3
InChIKeyYKWFKORNGHXEBS-UHFFFAOYSA-N
XLogP1.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.15
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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3-chloro-3-methylbutanoyl chloride
CID 11344131
2-methyl-2-trichlorogermylpropanoyl chloride
CID 87735387
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,3-dimethyl-2-silylbutanoyl chloride?
The IUPAC name of 3-chloro-2,3-dimethyl-2-silylbutanoyl chloride (CID 154481227) is 3-chloro-2,3-dimethyl-2-silylbutanoyl chloride.
What is the SMILES notation for 3-chloro-2,3-dimethyl-2-silylbutanoyl chloride?
The canonical SMILES for 3-chloro-2,3-dimethyl-2-silylbutanoyl chloride is CC(C)(Cl)C(C)([SiH3])C(=O)Cl.
What is the InChIKey of 3-chloro-2,3-dimethyl-2-silylbutanoyl chloride?
The InChIKey is YKWFKORNGHXEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Cl2OSi/c1-5(2,8)6(3,10)4(7)9/h1-3,10H3.
What are the key properties of 3-chloro-2,3-dimethyl-2-silylbutanoyl chloride?
3-chloro-2,3-dimethyl-2-silylbutanoyl chloride has a molecular weight of 199.15 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,3-dimethyl-2-silylbutanoyl chloride is sourced from PubChem (CID 154481227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).