2,3,4-trichloro-1-phenylsilinane

C22H26Cl6Si2 — CID 174487136

IUPAC2,3,4-trichloro-1-phenylsilinane
SMILESClC1CC[SiH](c2ccccc2)C(Cl)C1Cl.ClC1CC[SiH](c2ccccc2)C(Cl)C1Cl
InChIInChI=1S/2C11H13Cl3Si/c2*12-9-6-7-15(11(14)10(9)13)8-4-2-1-3-5-8/h2*1-5,9-11,15H,6-7H2
InChIKeyIQELZNWJNADUFF-UHFFFAOYSA-N
MW559.34 g/mol
LogP5.77
Rot. Bonds2

About 2,3,4-trichloro-1-phenylsilinane

2,3,4-trichloro-1-phenylsilinane (PubChem CID 174487136) has the molecular formula C22H26Cl6Si2 and a molecular weight of 559.34 g/mol. Its IUPAC name is 2,3,4-trichloro-1-phenylsilinane.

Molecular Properties

Compound Name2,3,4-trichloro-1-phenylsilinane
PubChem CID174487136
Molecular FormulaC22H26Cl6Si2
Molecular Weight559.34 g/mol
Exact Mass555.97
IUPAC Name2,3,4-trichloro-1-phenylsilinane
SMILESClC1CC[SiH](c2ccccc2)C(Cl)C1Cl.ClC1CC[SiH](c2ccccc2)C(Cl)C1Cl
InChIInChI=1S/2C11H13Cl3Si/c2*12-9-6-7-15(11(14)10(9)13)8-4-2-1-3-5-8/h2*1-5,9-11,15H,6-7H2
InChIKeyIQELZNWJNADUFF-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.34
LogP ≤ 55.77
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 2,3,4-trichloro-1-phenylsilinane?
The IUPAC name of 2,3,4-trichloro-1-phenylsilinane (CID 174487136) is 2,3,4-trichloro-1-phenylsilinane.
What is the SMILES notation for 2,3,4-trichloro-1-phenylsilinane?
The canonical SMILES for 2,3,4-trichloro-1-phenylsilinane is ClC1CC[SiH](c2ccccc2)C(Cl)C1Cl.ClC1CC[SiH](c2ccccc2)C(Cl)C1Cl.
What is the InChIKey of 2,3,4-trichloro-1-phenylsilinane?
The InChIKey is IQELZNWJNADUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H13Cl3Si/c2*12-9-6-7-15(11(14)10(9)13)8-4-2-1-3-5-8/h2*1-5,9-11,15H,6-7H2.
What are the key properties of 2,3,4-trichloro-1-phenylsilinane?
2,3,4-trichloro-1-phenylsilinane has a molecular weight of 559.34 g/mol, XLogP of 5.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trichloro-1-phenylsilinane is sourced from PubChem (CID 174487136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).