trichloromethyl-[4-(trichloromethyl-λ2-stannanyl)butyl]tin

C6H8Cl6Sn2 — CID 141225461

IUPACtrichloromethyl-[4-(trichloromethyl-λ2-stannanyl)butyl]tin
SMILESClC(Cl)(Cl)[Sn]CCCC[Sn]C(Cl)(Cl)Cl
InChIInChI=1S/C4H8.2CCl3.2Sn/c1-3-4-2;2*2-1(3)4;;/h1-4H2;;;;
InChIKeyLQMCXPVSKOFFQC-UHFFFAOYSA-N
MW530.27 g/mol
LogP4.67
Rot. Bonds5

About trichloromethyl-[4-(trichloromethyl-λ2-stannanyl)butyl]tin

trichloromethyl-[4-(trichloromethyl-λ2-stannanyl)butyl]tin (PubChem CID 141225461) has the molecular formula C6H8Cl6Sn2 and a molecular weight of 530.27 g/mol. Its IUPAC name is trichloromethyl-[4-(trichloromethyl-λ2-stannanyl)butyl]tin.

Molecular Properties

Compound Nametrichloromethyl-[4-(trichloromethyl-λ2-stannanyl)butyl]tin
PubChem CID141225461
Molecular FormulaC6H8Cl6Sn2
Molecular Weight530.27 g/mol
Exact Mass529.68
IUPAC Nametrichloromethyl-[4-(trichloromethyl-λ2-stannanyl)butyl]tin
SMILESClC(Cl)(Cl)[Sn]CCCC[Sn]C(Cl)(Cl)Cl
InChIInChI=1S/C4H8.2CCl3.2Sn/c1-3-4-2;2*2-1(3)4;;/h1-4H2;;;;
InChIKeyLQMCXPVSKOFFQC-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.27
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trichloromethyl-[4-(trichloromethyl-λ2-stannanyl)butyl]tin?
The IUPAC name of trichloromethyl-[4-(trichloromethyl-λ2-stannanyl)butyl]tin (CID 141225461) is trichloromethyl-[4-(trichloromethyl-λ2-stannanyl)butyl]tin.
What is the SMILES notation for trichloromethyl-[4-(trichloromethyl-λ2-stannanyl)butyl]tin?
The canonical SMILES for trichloromethyl-[4-(trichloromethyl-λ2-stannanyl)butyl]tin is ClC(Cl)(Cl)[Sn]CCCC[Sn]C(Cl)(Cl)Cl.
What is the InChIKey of trichloromethyl-[4-(trichloromethyl-λ2-stannanyl)butyl]tin?
The InChIKey is LQMCXPVSKOFFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.2CCl3.2Sn/c1-3-4-2;2*2-1(3)4;;/h1-4H2;;;;.
What are the key properties of trichloromethyl-[4-(trichloromethyl-λ2-stannanyl)butyl]tin?
trichloromethyl-[4-(trichloromethyl-λ2-stannanyl)butyl]tin has a molecular weight of 530.27 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloromethyl-[4-(trichloromethyl-λ2-stannanyl)butyl]tin is sourced from PubChem (CID 141225461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).