trichloro-[(2,3,4,5-tetrachloro-6-methylphenyl)methyl]silane

C8H5Cl7Si — CID 87841973

IUPACtrichloro-[(2,3,4,5-tetrachloro-6-methylphenyl)methyl]silane
SMILESCc1c(Cl)c(Cl)c(Cl)c(Cl)c1C[Si](Cl)(Cl)Cl
InChIInChI=1S/C8H5Cl7Si/c1-3-4(2-16(13,14)15)6(10)8(12)7(11)5(3)9/h2H2,1H3
InChIKeyNCTNXKCGSGCKNK-UHFFFAOYSA-N
MW377.39 g/mol
LogP6.35
Rot. Bonds2

About trichloro-[(2,3,4,5-tetrachloro-6-methylphenyl)methyl]silane

trichloro-[(2,3,4,5-tetrachloro-6-methylphenyl)methyl]silane (PubChem CID 87841973) has the molecular formula C8H5Cl7Si and a molecular weight of 377.39 g/mol. Its IUPAC name is trichloro-[(2,3,4,5-tetrachloro-6-methylphenyl)methyl]silane.

Molecular Properties

Compound Nametrichloro-[(2,3,4,5-tetrachloro-6-methylphenyl)methyl]silane
PubChem CID87841973
Molecular FormulaC8H5Cl7Si
Molecular Weight377.39 g/mol
Exact Mass373.80
IUPAC Nametrichloro-[(2,3,4,5-tetrachloro-6-methylphenyl)methyl]silane
SMILESCc1c(Cl)c(Cl)c(Cl)c(Cl)c1C[Si](Cl)(Cl)Cl
InChIInChI=1S/C8H5Cl7Si/c1-3-4(2-16(13,14)15)6(10)8(12)7(11)5(3)9/h2H2,1H3
InChIKeyNCTNXKCGSGCKNK-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.39
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trichloro-[(2,3,4,5-tetrachloro-6-methylphenyl)methyl]silane?
The IUPAC name of trichloro-[(2,3,4,5-tetrachloro-6-methylphenyl)methyl]silane (CID 87841973) is trichloro-[(2,3,4,5-tetrachloro-6-methylphenyl)methyl]silane.
What is the SMILES notation for trichloro-[(2,3,4,5-tetrachloro-6-methylphenyl)methyl]silane?
The canonical SMILES for trichloro-[(2,3,4,5-tetrachloro-6-methylphenyl)methyl]silane is Cc1c(Cl)c(Cl)c(Cl)c(Cl)c1C[Si](Cl)(Cl)Cl.
What is the InChIKey of trichloro-[(2,3,4,5-tetrachloro-6-methylphenyl)methyl]silane?
The InChIKey is NCTNXKCGSGCKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl7Si/c1-3-4(2-16(13,14)15)6(10)8(12)7(11)5(3)9/h2H2,1H3.
What are the key properties of trichloro-[(2,3,4,5-tetrachloro-6-methylphenyl)methyl]silane?
trichloro-[(2,3,4,5-tetrachloro-6-methylphenyl)methyl]silane has a molecular weight of 377.39 g/mol, XLogP of 6.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[(2,3,4,5-tetrachloro-6-methylphenyl)methyl]silane is sourced from PubChem (CID 87841973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).