dimethylsilyl 2,2,2-trichloroacetate

C4H7Cl3O2Si — CID 15643441

IUPACdimethylsilyl 2,2,2-trichloroacetate
SMILESC[SiH](C)OC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C4H7Cl3O2Si/c1-10(2)9-3(8)4(5,6)7/h10H,1-2H3
InChIKeyMDICDIOARQBSPO-UHFFFAOYSA-N
MW221.54 g/mol
LogP1.88
Rot. Bonds1

About dimethylsilyl 2,2,2-trichloroacetate

dimethylsilyl 2,2,2-trichloroacetate (PubChem CID 15643441) has the molecular formula C4H7Cl3O2Si and a molecular weight of 221.54 g/mol. Its IUPAC name is dimethylsilyl 2,2,2-trichloroacetate.

Molecular Properties

Compound Namedimethylsilyl 2,2,2-trichloroacetate
PubChem CID15643441
Molecular FormulaC4H7Cl3O2Si
Molecular Weight221.54 g/mol
Exact Mass219.93
IUPAC Namedimethylsilyl 2,2,2-trichloroacetate
SMILESC[SiH](C)OC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C4H7Cl3O2Si/c1-10(2)9-3(8)4(5,6)7/h10H,1-2H3
InChIKeyMDICDIOARQBSPO-UHFFFAOYSA-N
XLogP1.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.54
LogP ≤ 51.88
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

dimethylsilyl 2,2,2-trifluoroacetate
CID 123653640
(2,2,2-trichloroacetyl)oxycarbonyl 2,2,2-trichloroacetate
CID 11068173
formyl 2,2,2-trichloroacetate
CID 57087058
bis(dimethylsilyl) pentanedioate
CID 173080734
dimethylsilyl 2-methylbut-2-enoate
CID 123251992
bis(2,2,2-trichloroacetyl) (Z)-but-2-enedioate
CID 88645434
4-dimethylsilyloxy-3-methylpent-3-en-2-one
CID 123894610
bis(2-chloropropan-2-yl) carbonate
CID 88655151
1,2,2,2-tetrachloroethyl 2,2,2-trichloroacetate
CID 174517008
azane;dimethylsilyl 2-hydroxypropanoate
CID 173286242
2-chloro-2-methylpropaneperoxoic acid
CID 21313526
2-chloropropan-2-yl carbonochloridate
CID 54538343

Frequently Asked Questions

What is the IUPAC name of dimethylsilyl 2,2,2-trichloroacetate?
The IUPAC name of dimethylsilyl 2,2,2-trichloroacetate (CID 15643441) is dimethylsilyl 2,2,2-trichloroacetate.
What is the SMILES notation for dimethylsilyl 2,2,2-trichloroacetate?
The canonical SMILES for dimethylsilyl 2,2,2-trichloroacetate is C[SiH](C)OC(=O)C(Cl)(Cl)Cl.
What is the InChIKey of dimethylsilyl 2,2,2-trichloroacetate?
The InChIKey is MDICDIOARQBSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Cl3O2Si/c1-10(2)9-3(8)4(5,6)7/h10H,1-2H3.
What are the key properties of dimethylsilyl 2,2,2-trichloroacetate?
dimethylsilyl 2,2,2-trichloroacetate has a molecular weight of 221.54 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilyl 2,2,2-trichloroacetate is sourced from PubChem (CID 15643441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).