butane;phosphoric acid;vanadium(2+)

C8H21O4PV — CID 87828686

IUPACbutane;phosphoric acid;vanadium(2+)
SMILESO=P(O)(O)O.[CH2-]CCC.[CH2-]CCC.[V+2]
InChIInChI=1S/2C4H9.H3O4P.V/c2*1-3-4-2;1-5(2,3)4;/h2*1,3-4H2,2H3;(H3,1,2,3,4);/q2*-1;;+2
InChIKeyNGRQLHRALHPBCB-UHFFFAOYSA-N
MW263.17 g/mol
LogP2.31
Rot. Bonds2

About butane;phosphoric acid;vanadium(2+)

butane;phosphoric acid;vanadium(2+) (PubChem CID 87828686) has the molecular formula C8H21O4PV and a molecular weight of 263.17 g/mol. Its IUPAC name is butane;phosphoric acid;vanadium(2+).

Molecular Properties

Compound Namebutane;phosphoric acid;vanadium(2+)
PubChem CID87828686
Molecular FormulaC8H21O4PV
Molecular Weight263.17 g/mol
Exact Mass263.06
IUPAC Namebutane;phosphoric acid;vanadium(2+)
SMILESO=P(O)(O)O.[CH2-]CCC.[CH2-]CCC.[V+2]
InChIInChI=1S/2C4H9.H3O4P.V/c2*1-3-4-2;1-5(2,3)4;/h2*1,3-4H2,2H3;(H3,1,2,3,4);/q2*-1;;+2
InChIKeyNGRQLHRALHPBCB-UHFFFAOYSA-N
XLogP2.31
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of butane;phosphoric acid;vanadium(2+)?
The IUPAC name of butane;phosphoric acid;vanadium(2+) (CID 87828686) is butane;phosphoric acid;vanadium(2+).
What is the SMILES notation for butane;phosphoric acid;vanadium(2+)?
The canonical SMILES for butane;phosphoric acid;vanadium(2+) is O=P(O)(O)O.[CH2-]CCC.[CH2-]CCC.[V+2].
What is the InChIKey of butane;phosphoric acid;vanadium(2+)?
The InChIKey is NGRQLHRALHPBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9.H3O4P.V/c2*1-3-4-2;1-5(2,3)4;/h2*1,3-4H2,2H3;(H3,1,2,3,4);/q2*-1;;+2.
What are the key properties of butane;phosphoric acid;vanadium(2+)?
butane;phosphoric acid;vanadium(2+) has a molecular weight of 263.17 g/mol, XLogP of 2.31, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;phosphoric acid;vanadium(2+) is sourced from PubChem (CID 87828686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).