triethoxy-[1-[4-(trichloromethyl)phenyl]ethyl]silane

C15H23Cl3O3Si — CID 66845720

IUPACtriethoxy-[1-[4-(trichloromethyl)phenyl]ethyl]silane
SMILESCCO[Si](OCC)(OCC)C(C)c1ccc(C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C15H23Cl3O3Si/c1-5-19-22(20-6-2,21-7-3)12(4)13-8-10-14(11-9-13)15(16,17)18/h8-12H,5-7H2,1-4H3
InChIKeyBVROTLAMYAPNFM-UHFFFAOYSA-N
MW385.79 g/mol
LogP5.20
Rot. Bonds8

About triethoxy-[1-[4-(trichloromethyl)phenyl]ethyl]silane

triethoxy-[1-[4-(trichloromethyl)phenyl]ethyl]silane (PubChem CID 66845720) has the molecular formula C15H23Cl3O3Si and a molecular weight of 385.79 g/mol. Its IUPAC name is triethoxy-[1-[4-(trichloromethyl)phenyl]ethyl]silane.

Molecular Properties

Compound Nametriethoxy-[1-[4-(trichloromethyl)phenyl]ethyl]silane
PubChem CID66845720
Molecular FormulaC15H23Cl3O3Si
Molecular Weight385.79 g/mol
Exact Mass384.05
IUPAC Nametriethoxy-[1-[4-(trichloromethyl)phenyl]ethyl]silane
SMILESCCO[Si](OCC)(OCC)C(C)c1ccc(C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C15H23Cl3O3Si/c1-5-19-22(20-6-2,21-7-3)12(4)13-8-10-14(11-9-13)15(16,17)18/h8-12H,5-7H2,1-4H3
InChIKeyBVROTLAMYAPNFM-UHFFFAOYSA-N
XLogP5.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.79
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 triethoxy-[1-[4-(trichloromethyl)phenyl]ethyl]silane?
The IUPAC name of triethoxy-[1-[4-(trichloromethyl)phenyl]ethyl]silane (CID 66845720) is triethoxy-[1-[4-(trichloromethyl)phenyl]ethyl]silane.
What is the SMILES notation for triethoxy-[1-[4-(trichloromethyl)phenyl]ethyl]silane?
The canonical SMILES for triethoxy-[1-[4-(trichloromethyl)phenyl]ethyl]silane is CCO[Si](OCC)(OCC)C(C)c1ccc(C(Cl)(Cl)Cl)cc1.
What is the InChIKey of triethoxy-[1-[4-(trichloromethyl)phenyl]ethyl]silane?
The InChIKey is BVROTLAMYAPNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl3O3Si/c1-5-19-22(20-6-2,21-7-3)12(4)13-8-10-14(11-9-13)15(16,17)18/h8-12H,5-7H2,1-4H3.
What are the key properties of triethoxy-[1-[4-(trichloromethyl)phenyl]ethyl]silane?
triethoxy-[1-[4-(trichloromethyl)phenyl]ethyl]silane has a molecular weight of 385.79 g/mol, XLogP of 5.20, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[1-[4-(trichloromethyl)phenyl]ethyl]silane is sourced from PubChem (CID 66845720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).