terephthalate;vanadium(4+)

C16H8O8V — CID 157213578

IUPACterephthalate;vanadium(4+)
SMILESO=C([O-])c1ccc(C(=O)[O-])cc1.O=C([O-])c1ccc(C(=O)[O-])cc1.[V+4]
InChIInChI=1S/2C8H6O4.V/c2*9-7(10)5-1-2-6(4-3-5)8(11)12;/h2*1-4H,(H,9,10)(H,11,12);/q;;+4/p-4
InChIKeyASDVBNNPHPRWJY-UHFFFAOYSA-J
MW379.18 g/mol
LogP-3.18
Rot. Bonds4

About terephthalate;vanadium(4+)

terephthalate;vanadium(4+) (PubChem CID 157213578) has the molecular formula C16H8O8V and a molecular weight of 379.18 g/mol. Its IUPAC name is terephthalate;vanadium(4+).

Molecular Properties

Compound Nameterephthalate;vanadium(4+)
PubChem CID157213578
Molecular FormulaC16H8O8V
Molecular Weight379.18 g/mol
Exact Mass378.97
IUPAC Nameterephthalate;vanadium(4+)
SMILESO=C([O-])c1ccc(C(=O)[O-])cc1.O=C([O-])c1ccc(C(=O)[O-])cc1.[V+4]
InChIInChI=1S/2C8H6O4.V/c2*9-7(10)5-1-2-6(4-3-5)8(11)12;/h2*1-4H,(H,9,10)(H,11,12);/q;;+4/p-4
InChIKeyASDVBNNPHPRWJY-UHFFFAOYSA-J
XLogP-3.18
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.18
LogP ≤ 5-3.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of terephthalate;vanadium(4+)?
The IUPAC name of terephthalate;vanadium(4+) (CID 157213578) is terephthalate;vanadium(4+).
What is the SMILES notation for terephthalate;vanadium(4+)?
The canonical SMILES for terephthalate;vanadium(4+) is O=C([O-])c1ccc(C(=O)[O-])cc1.O=C([O-])c1ccc(C(=O)[O-])cc1.[V+4].
What is the InChIKey of terephthalate;vanadium(4+)?
The InChIKey is ASDVBNNPHPRWJY-UHFFFAOYSA-J. The full InChI is InChI=1S/2C8H6O4.V/c2*9-7(10)5-1-2-6(4-3-5)8(11)12;/h2*1-4H,(H,9,10)(H,11,12);/q;;+4/p-4.
What are the key properties of terephthalate;vanadium(4+)?
terephthalate;vanadium(4+) has a molecular weight of 379.18 g/mol, XLogP of -3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for terephthalate;vanadium(4+) is sourced from PubChem (CID 157213578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).