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

C9H19Cl3O2Si — CID 91700561

IUPACdimethyl-pentoxy-(2,2,2-trichloroethoxy)silane
SMILESCCCCCO[Si](C)(C)OCC(Cl)(Cl)Cl
InChIInChI=1S/C9H19Cl3O2Si/c1-4-5-6-7-13-15(2,3)14-8-9(10,11)12/h4-8H2,1-3H3
InChIKeySLMSRLJUOLBNNW-UHFFFAOYSA-N
MW293.69 g/mol
LogP4.28
Rot. Bonds7

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

dimethyl-pentoxy-(2,2,2-trichloroethoxy)silane (PubChem CID 91700561) has the molecular formula C9H19Cl3O2Si and a molecular weight of 293.69 g/mol. Its IUPAC name is dimethyl-pentoxy-(2,2,2-trichloroethoxy)silane.

Molecular Properties

Compound Namedimethyl-pentoxy-(2,2,2-trichloroethoxy)silane
PubChem CID91700561
Molecular FormulaC9H19Cl3O2Si
Molecular Weight293.69 g/mol
Exact Mass292.02
IUPAC Namedimethyl-pentoxy-(2,2,2-trichloroethoxy)silane
SMILESCCCCCO[Si](C)(C)OCC(Cl)(Cl)Cl
InChIInChI=1S/C9H19Cl3O2Si/c1-4-5-6-7-13-15(2,3)14-8-9(10,11)12/h4-8H2,1-3H3
InChIKeySLMSRLJUOLBNNW-UHFFFAOYSA-N
XLogP4.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.69
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-pentoxy-(2,2,2-trichloroethoxy)silane?
The IUPAC name of dimethyl-pentoxy-(2,2,2-trichloroethoxy)silane (CID 91700561) is dimethyl-pentoxy-(2,2,2-trichloroethoxy)silane.
What is the SMILES notation for dimethyl-pentoxy-(2,2,2-trichloroethoxy)silane?
The canonical SMILES for dimethyl-pentoxy-(2,2,2-trichloroethoxy)silane is CCCCCO[Si](C)(C)OCC(Cl)(Cl)Cl.
What is the InChIKey of dimethyl-pentoxy-(2,2,2-trichloroethoxy)silane?
The InChIKey is SLMSRLJUOLBNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19Cl3O2Si/c1-4-5-6-7-13-15(2,3)14-8-9(10,11)12/h4-8H2,1-3H3.
What are the key properties of dimethyl-pentoxy-(2,2,2-trichloroethoxy)silane?
dimethyl-pentoxy-(2,2,2-trichloroethoxy)silane has a molecular weight of 293.69 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-pentoxy-(2,2,2-trichloroethoxy)silane is sourced from PubChem (CID 91700561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).