4-chloro-4-dimethylsilylbutanoyl chloride

C6H12Cl2OSi — CID 154093838

IUPAC4-chloro-4-dimethylsilylbutanoyl chloride
SMILESC[SiH](C)C(Cl)CCC(=O)Cl
InChIInChI=1S/C6H12Cl2OSi/c1-10(2)6(8)4-3-5(7)9/h6,10H,3-4H2,1-2H3
InChIKeyZHXHNICDUGOIAG-UHFFFAOYSA-N
MW199.15 g/mol
LogP2.17
Rot. Bonds4

About 4-chloro-4-dimethylsilylbutanoyl chloride

4-chloro-4-dimethylsilylbutanoyl chloride (PubChem CID 154093838) has the molecular formula C6H12Cl2OSi and a molecular weight of 199.15 g/mol. Its IUPAC name is 4-chloro-4-dimethylsilylbutanoyl chloride.

Molecular Properties

Compound Name4-chloro-4-dimethylsilylbutanoyl chloride
PubChem CID154093838
Molecular FormulaC6H12Cl2OSi
Molecular Weight199.15 g/mol
Exact Mass198.00
IUPAC Name4-chloro-4-dimethylsilylbutanoyl chloride
SMILESC[SiH](C)C(Cl)CCC(=O)Cl
InChIInChI=1S/C6H12Cl2OSi/c1-10(2)6(8)4-3-5(7)9/h6,10H,3-4H2,1-2H3
InChIKeyZHXHNICDUGOIAG-UHFFFAOYSA-N
XLogP2.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.15
LogP ≤ 52.17
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

(4S)-4-chloro-5,5-dimethylhexanoyl chloride
CID 34181516
propane-1,1,3-tricarbonyl chloride
CID 87502873
5-chlorohexanoyl chloride
CID 71757929
4-methylheptanoyl chloride
CID 14234515
ethyl 5-chloro-2-methyl-5-oxopentanoate
CID 13065957
8-methylhexadecanedioyl dichloride
CID 139686539
4-ethyltetradecanedioyl dichloride
CID 87116546
butanoyl chloride;hydroiodide
CID 162309857
1-chlorohex-5-enyl(dimethyl)silane
CID 175422329
2,4-dinitroheptanedioyl dichloride
CID 57288907
(5R,9R)-5,9,13-trimethyltetradecanoyl chloride
CID 118035354
2-methyldecanedioyl dichloride
CID 21217366

Frequently Asked Questions

What is the IUPAC name of 4-chloro-4-dimethylsilylbutanoyl chloride?
The IUPAC name of 4-chloro-4-dimethylsilylbutanoyl chloride (CID 154093838) is 4-chloro-4-dimethylsilylbutanoyl chloride.
What is the SMILES notation for 4-chloro-4-dimethylsilylbutanoyl chloride?
The canonical SMILES for 4-chloro-4-dimethylsilylbutanoyl chloride is C[SiH](C)C(Cl)CCC(=O)Cl.
What is the InChIKey of 4-chloro-4-dimethylsilylbutanoyl chloride?
The InChIKey is ZHXHNICDUGOIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Cl2OSi/c1-10(2)6(8)4-3-5(7)9/h6,10H,3-4H2,1-2H3.
What are the key properties of 4-chloro-4-dimethylsilylbutanoyl chloride?
4-chloro-4-dimethylsilylbutanoyl chloride has a molecular weight of 199.15 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-4-dimethylsilylbutanoyl chloride is sourced from PubChem (CID 154093838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).