toluene;tetrahydrochloride

C14H20Cl4 — CID 174345064

IUPACtoluene;tetrahydrochloride
SMILESCc1ccccc1.Cc1ccccc1.Cl.Cl.Cl.Cl
InChIInChI=1S/2C7H8.4ClH/c2*1-7-5-3-2-4-6-7;;;;/h2*2-6H,1H3;4*1H
InChIKeyVAUHROCFOZYQFT-UHFFFAOYSA-N
MW330.13 g/mol
LogP5.68
Rot. Bonds

About toluene;tetrahydrochloride

toluene;tetrahydrochloride (PubChem CID 174345064) has the molecular formula C14H20Cl4 and a molecular weight of 330.13 g/mol. Its IUPAC name is toluene;tetrahydrochloride.

Molecular Properties

Compound Nametoluene;tetrahydrochloride
PubChem CID174345064
Molecular FormulaC14H20Cl4
Molecular Weight330.13 g/mol
Exact Mass328.03
IUPAC Nametoluene;tetrahydrochloride
SMILESCc1ccccc1.Cc1ccccc1.Cl.Cl.Cl.Cl
InChIInChI=1S/2C7H8.4ClH/c2*1-7-5-3-2-4-6-7;;;;/h2*2-6H,1H3;4*1H
InChIKeyVAUHROCFOZYQFT-UHFFFAOYSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.13
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

toluene;dihydrochloride
CID 66712893
ruthenium;toluene;trihydrochloride
CID 174723656
germane;toluene;dihydrochloride
CID 174718669
silane;toluene;trihydrochloride
CID 173426861
sulfane;toluene;dihydrochloride
CID 173359936
methylcyclotriacontapentadecaene
CID 101240530
titanium(2+);toluene
CID 22023820
benzene;toluene
CID 158487474
chloromethane;toluene;dihydrochloride
CID 174689155
ethene;toluene;dihydrochloride
CID 174276009
gold;toluene
CID 159315944
aluminum toluene
CID 21283935

Frequently Asked Questions

What is the IUPAC name of toluene;tetrahydrochloride?
The IUPAC name of toluene;tetrahydrochloride (CID 174345064) is toluene;tetrahydrochloride.
What is the SMILES notation for toluene;tetrahydrochloride?
The canonical SMILES for toluene;tetrahydrochloride is Cc1ccccc1.Cc1ccccc1.Cl.Cl.Cl.Cl.
What is the InChIKey of toluene;tetrahydrochloride?
The InChIKey is VAUHROCFOZYQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8.4ClH/c2*1-7-5-3-2-4-6-7;;;;/h2*2-6H,1H3;4*1H.
What are the key properties of toluene;tetrahydrochloride?
toluene;tetrahydrochloride has a molecular weight of 330.13 g/mol, XLogP of 5.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for toluene;tetrahydrochloride is sourced from PubChem (CID 174345064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).