dimethyl-(2-methylpropoxy)-(2,2,2-trichloroethoxy)silane

C8H17Cl3O2Si — CID 91700368

IUPACdimethyl-(2-methylpropoxy)-(2,2,2-trichloroethoxy)silane
SMILESCC(C)CO[Si](C)(C)OCC(Cl)(Cl)Cl
InChIInChI=1S/C8H17Cl3O2Si/c1-7(2)5-12-14(3,4)13-6-8(9,10)11/h7H,5-6H2,1-4H3
InChIKeyPKAAAAFXAMBVQD-UHFFFAOYSA-N
MW279.67 g/mol
LogP3.75
Rot. Bonds5

About dimethyl-(2-methylpropoxy)-(2,2,2-trichloroethoxy)silane

dimethyl-(2-methylpropoxy)-(2,2,2-trichloroethoxy)silane (PubChem CID 91700368) has the molecular formula C8H17Cl3O2Si and a molecular weight of 279.67 g/mol. Its IUPAC name is dimethyl-(2-methylpropoxy)-(2,2,2-trichloroethoxy)silane.

Molecular Properties

Compound Namedimethyl-(2-methylpropoxy)-(2,2,2-trichloroethoxy)silane
PubChem CID91700368
Molecular FormulaC8H17Cl3O2Si
Molecular Weight279.67 g/mol
Exact Mass278.01
IUPAC Namedimethyl-(2-methylpropoxy)-(2,2,2-trichloroethoxy)silane
SMILESCC(C)CO[Si](C)(C)OCC(Cl)(Cl)Cl
InChIInChI=1S/C8H17Cl3O2Si/c1-7(2)5-12-14(3,4)13-6-8(9,10)11/h7H,5-6H2,1-4H3
InChIKeyPKAAAAFXAMBVQD-UHFFFAOYSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.67
LogP ≤ 53.75
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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Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-methylpropoxy)-(2,2,2-trichloroethoxy)silane?
The IUPAC name of dimethyl-(2-methylpropoxy)-(2,2,2-trichloroethoxy)silane (CID 91700368) is dimethyl-(2-methylpropoxy)-(2,2,2-trichloroethoxy)silane.
What is the SMILES notation for dimethyl-(2-methylpropoxy)-(2,2,2-trichloroethoxy)silane?
The canonical SMILES for dimethyl-(2-methylpropoxy)-(2,2,2-trichloroethoxy)silane is CC(C)CO[Si](C)(C)OCC(Cl)(Cl)Cl.
What is the InChIKey of dimethyl-(2-methylpropoxy)-(2,2,2-trichloroethoxy)silane?
The InChIKey is PKAAAAFXAMBVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17Cl3O2Si/c1-7(2)5-12-14(3,4)13-6-8(9,10)11/h7H,5-6H2,1-4H3.
What are the key properties of dimethyl-(2-methylpropoxy)-(2,2,2-trichloroethoxy)silane?
dimethyl-(2-methylpropoxy)-(2,2,2-trichloroethoxy)silane has a molecular weight of 279.67 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-methylpropoxy)-(2,2,2-trichloroethoxy)silane is sourced from PubChem (CID 91700368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).