trichloro-[(E)-2-methylbut-2-enyl]silane

C5H9Cl3Si — CID 5365807

IUPACtrichloro-[(E)-2-methylbut-2-enyl]silane
SMILESC/C=C(\C)C[Si](Cl)(Cl)Cl
InChIInChI=1S/C5H9Cl3Si/c1-3-5(2)4-9(6,7)8/h3H,4H2,1-2H3/b5-3+
InChIKeyNUTQESLOQFENIR-HWKANZROSA-N
MW203.57 g/mol
LogP3.61
Rot. Bonds2

About trichloro-[(E)-2-methylbut-2-enyl]silane

trichloro-[(E)-2-methylbut-2-enyl]silane (PubChem CID 5365807) has the molecular formula C5H9Cl3Si and a molecular weight of 203.57 g/mol. Its IUPAC name is trichloro-[(E)-2-methylbut-2-enyl]silane.

Molecular Properties

Compound Nametrichloro-[(E)-2-methylbut-2-enyl]silane
PubChem CID5365807
Molecular FormulaC5H9Cl3Si
Molecular Weight203.57 g/mol
Exact Mass201.95
IUPAC Nametrichloro-[(E)-2-methylbut-2-enyl]silane
SMILESC/C=C(\C)C[Si](Cl)(Cl)Cl
InChIInChI=1S/C5H9Cl3Si/c1-3-5(2)4-9(6,7)8/h3H,4H2,1-2H3/b5-3+
InChIKeyNUTQESLOQFENIR-HWKANZROSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.57
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trichloro-[(E)-2-methylbut-2-enyl]silane?
The IUPAC name of trichloro-[(E)-2-methylbut-2-enyl]silane (CID 5365807) is trichloro-[(E)-2-methylbut-2-enyl]silane.
What is the SMILES notation for trichloro-[(E)-2-methylbut-2-enyl]silane?
The canonical SMILES for trichloro-[(E)-2-methylbut-2-enyl]silane is C/C=C(\C)C[Si](Cl)(Cl)Cl.
What is the InChIKey of trichloro-[(E)-2-methylbut-2-enyl]silane?
The InChIKey is NUTQESLOQFENIR-HWKANZROSA-N. The full InChI is InChI=1S/C5H9Cl3Si/c1-3-5(2)4-9(6,7)8/h3H,4H2,1-2H3/b5-3+.
What are the key properties of trichloro-[(E)-2-methylbut-2-enyl]silane?
trichloro-[(E)-2-methylbut-2-enyl]silane has a molecular weight of 203.57 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[(E)-2-methylbut-2-enyl]silane is sourced from PubChem (CID 5365807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).