trimethyl-[(E)-4,4,4-trichlorobut-1-enyl]silane

C7H13Cl3Si — CID 11253251

IUPACtrimethyl-[(E)-4,4,4-trichlorobut-1-enyl]silane
SMILESC[Si](C)(C)/C=C/CC(Cl)(Cl)Cl
InChIInChI=1S/C7H13Cl3Si/c1-11(2,3)6-4-5-7(8,9)10/h4,6H,5H2,1-3H3/b6-4+
InChIKeyBXKUSONBDJQGNK-GQCTYLIASA-N
MW231.63 g/mol
LogP4.18
Rot. Bonds2

About trimethyl-[(E)-4,4,4-trichlorobut-1-enyl]silane

trimethyl-[(E)-4,4,4-trichlorobut-1-enyl]silane (PubChem CID 11253251) has the molecular formula C7H13Cl3Si and a molecular weight of 231.63 g/mol. Its IUPAC name is trimethyl-[(E)-4,4,4-trichlorobut-1-enyl]silane.

Molecular Properties

Compound Nametrimethyl-[(E)-4,4,4-trichlorobut-1-enyl]silane
PubChem CID11253251
Molecular FormulaC7H13Cl3Si
Molecular Weight231.63 g/mol
Exact Mass229.99
IUPAC Nametrimethyl-[(E)-4,4,4-trichlorobut-1-enyl]silane
SMILESC[Si](C)(C)/C=C/CC(Cl)(Cl)Cl
InChIInChI=1S/C7H13Cl3Si/c1-11(2,3)6-4-5-7(8,9)10/h4,6H,5H2,1-3H3/b6-4+
InChIKeyBXKUSONBDJQGNK-GQCTYLIASA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.63
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 trimethyl-[(E)-4,4,4-trichlorobut-1-enyl]silane?
The IUPAC name of trimethyl-[(E)-4,4,4-trichlorobut-1-enyl]silane (CID 11253251) is trimethyl-[(E)-4,4,4-trichlorobut-1-enyl]silane.
What is the SMILES notation for trimethyl-[(E)-4,4,4-trichlorobut-1-enyl]silane?
The canonical SMILES for trimethyl-[(E)-4,4,4-trichlorobut-1-enyl]silane is C[Si](C)(C)/C=C/CC(Cl)(Cl)Cl.
What is the InChIKey of trimethyl-[(E)-4,4,4-trichlorobut-1-enyl]silane?
The InChIKey is BXKUSONBDJQGNK-GQCTYLIASA-N. The full InChI is InChI=1S/C7H13Cl3Si/c1-11(2,3)6-4-5-7(8,9)10/h4,6H,5H2,1-3H3/b6-4+.
What are the key properties of trimethyl-[(E)-4,4,4-trichlorobut-1-enyl]silane?
trimethyl-[(E)-4,4,4-trichlorobut-1-enyl]silane has a molecular weight of 231.63 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-4,4,4-trichlorobut-1-enyl]silane is sourced from PubChem (CID 11253251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).