dilithium;phthalate

C8H4Li2O4 — CID 3014914

IUPACdilithium;phthalate
SMILESO=C([O-])c1ccccc1C(=O)[O-].[Li+].[Li+]
InChIInChI=1S/C8H6O4.2Li/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);;/q;2*+1/p-2
InChIKeyVNSVQJIXVXZDJF-UHFFFAOYSA-L
MW178.00 g/mol
LogP-7.58
Rot. Bonds2

About dilithium;phthalate

dilithium;phthalate (PubChem CID 3014914) has the molecular formula C8H4Li2O4 and a molecular weight of 178.00 g/mol. Its IUPAC name is dilithium;phthalate.

Molecular Properties

Compound Namedilithium;phthalate
PubChem CID3014914
Molecular FormulaC8H4Li2O4
Molecular Weight178.00 g/mol
Exact Mass178.04
IUPAC Namedilithium;phthalate
SMILESO=C([O-])c1ccccc1C(=O)[O-].[Li+].[Li+]
InChIInChI=1S/C8H6O4.2Li/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);;/q;2*+1/p-2
InChIKeyVNSVQJIXVXZDJF-UHFFFAOYSA-L
XLogP-7.58
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.00
LogP ≤ 5-7.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dilithium;phthalate?
The IUPAC name of dilithium;phthalate (CID 3014914) is dilithium;phthalate.
What is the SMILES notation for dilithium;phthalate?
The canonical SMILES for dilithium;phthalate is O=C([O-])c1ccccc1C(=O)[O-].[Li+].[Li+].
What is the InChIKey of dilithium;phthalate?
The InChIKey is VNSVQJIXVXZDJF-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H6O4.2Li/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);;/q;2*+1/p-2.
What are the key properties of dilithium;phthalate?
dilithium;phthalate has a molecular weight of 178.00 g/mol, XLogP of -7.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;phthalate is sourced from PubChem (CID 3014914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).