but-2-yne;vanadium

C4H5V- — CID 58531794

IUPACbut-2-yne;vanadium
SMILES[CH2-]C#CC.[V]
InChIInChI=1S/C4H5.V/c1-3-4-2;/h1H2,2H3;/q-1;
InChIKeyKPTKXADRAXMYNK-UHFFFAOYSA-N
MW104.03 g/mol
LogP0.84
Rot. Bonds

About but-2-yne;vanadium

but-2-yne;vanadium (PubChem CID 58531794) has the molecular formula C4H5V- and a molecular weight of 104.03 g/mol. Its IUPAC name is but-2-yne;vanadium.

Molecular Properties

Compound Namebut-2-yne;vanadium
PubChem CID58531794
Molecular FormulaC4H5V-
Molecular Weight104.03 g/mol
Exact Mass103.98
IUPAC Namebut-2-yne;vanadium
SMILES[CH2-]C#CC.[V]
InChIInChI=1S/C4H5.V/c1-3-4-2;/h1H2,2H3;/q-1;
InChIKeyKPTKXADRAXMYNK-UHFFFAOYSA-N
XLogP0.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.03
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-2-yne;vanadium?
The IUPAC name of but-2-yne;vanadium (CID 58531794) is but-2-yne;vanadium.
What is the SMILES notation for but-2-yne;vanadium?
The canonical SMILES for but-2-yne;vanadium is [CH2-]C#CC.[V].
What is the InChIKey of but-2-yne;vanadium?
The InChIKey is KPTKXADRAXMYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5.V/c1-3-4-2;/h1H2,2H3;/q-1;.
What are the key properties of but-2-yne;vanadium?
but-2-yne;vanadium has a molecular weight of 104.03 g/mol, XLogP of 0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-yne;vanadium is sourced from PubChem (CID 58531794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).