lithium;magnesium;2-chloropropane;trichloride

C3H7Cl4LiMg — CID 175456910

IUPAClithium;magnesium;2-chloropropane;trichloride
SMILESCC(C)Cl.[Cl-].[Cl-].[Cl-].[Li+].[Mg+2]
InChIInChI=1S/C3H7Cl.3ClH.Li.Mg/c1-3(2)4;;;;;/h3H,1-2H3;3*1H;;/q;;;;+1;+2/p-3
InChIKeyBKTXADUVAIGPMH-UHFFFAOYSA-K
MW216.15 g/mol
LogP-10.73
Rot. Bonds

About lithium;magnesium;2-chloropropane;trichloride

lithium;magnesium;2-chloropropane;trichloride (PubChem CID 175456910) has the molecular formula C3H7Cl4LiMg and a molecular weight of 216.15 g/mol. Its IUPAC name is lithium;magnesium;2-chloropropane;trichloride.

Molecular Properties

Compound Namelithium;magnesium;2-chloropropane;trichloride
PubChem CID175456910
Molecular FormulaC3H7Cl4LiMg
Molecular Weight216.15 g/mol
Exact Mass213.93
IUPAC Namelithium;magnesium;2-chloropropane;trichloride
SMILESCC(C)Cl.[Cl-].[Cl-].[Cl-].[Li+].[Mg+2]
InChIInChI=1S/C3H7Cl.3ClH.Li.Mg/c1-3(2)4;;;;;/h3H,1-2H3;3*1H;;/q;;;;+1;+2/p-3
InChIKeyBKTXADUVAIGPMH-UHFFFAOYSA-K
XLogP-10.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.15
LogP ≤ 5-10.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

lithium;magnesium;2-chloropropane;hydride;dichloride
CID 175456909
magnesium;2-chloropropane;dichloride
CID 158508799
chloro(trimethyl)phosphanium
CID 15830224
CID 118356908
CID 118356908
lithium;magnesium;chloromethane;hydride;chloride
CID 174841569
magnesium;propan-2-yl hypochlorite;dichloride
CID 162306203
chloroform chloride
CID 18671957
2-chloropropane;bis(N-methylmethanamine)
CID 88525662
bromo-chloro-dimethylphosphanium
CID 23415191
dichloro-methyl-sulfanylphosphanium
CID 88580697
(1R)-1-bromo-1-chloroethane
CID 96570687
dilithium;magnesium;hydride;N-propan-2-ylpropan-2-amine;trichloride
CID 175311174

Frequently Asked Questions

What is the IUPAC name of lithium;magnesium;2-chloropropane;trichloride?
The IUPAC name of lithium;magnesium;2-chloropropane;trichloride (CID 175456910) is lithium;magnesium;2-chloropropane;trichloride.
What is the SMILES notation for lithium;magnesium;2-chloropropane;trichloride?
The canonical SMILES for lithium;magnesium;2-chloropropane;trichloride is CC(C)Cl.[Cl-].[Cl-].[Cl-].[Li+].[Mg+2].
What is the InChIKey of lithium;magnesium;2-chloropropane;trichloride?
The InChIKey is BKTXADUVAIGPMH-UHFFFAOYSA-K. The full InChI is InChI=1S/C3H7Cl.3ClH.Li.Mg/c1-3(2)4;;;;;/h3H,1-2H3;3*1H;;/q;;;;+1;+2/p-3.
What are the key properties of lithium;magnesium;2-chloropropane;trichloride?
lithium;magnesium;2-chloropropane;trichloride has a molecular weight of 216.15 g/mol, XLogP of -10.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;magnesium;2-chloropropane;trichloride is sourced from PubChem (CID 175456910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).