pent-2-yne;vanadium

C5H7V- — CID 58531781

IUPACpent-2-yne;vanadium
SMILES[CH2-]CC#CC.[V]
InChIInChI=1S/C5H7.V/c1-3-5-4-2;/h1,3H2,2H3;/q-1;
InChIKeyFFHYBDLBHPBIKK-UHFFFAOYSA-N
MW118.05 g/mol
LogP1.23
Rot. Bonds

About pent-2-yne;vanadium

pent-2-yne;vanadium (PubChem CID 58531781) has the molecular formula C5H7V- and a molecular weight of 118.05 g/mol. Its IUPAC name is pent-2-yne;vanadium.

Molecular Properties

Compound Namepent-2-yne;vanadium
PubChem CID58531781
Molecular FormulaC5H7V-
Molecular Weight118.05 g/mol
Exact Mass118.00
IUPAC Namepent-2-yne;vanadium
SMILES[CH2-]CC#CC.[V]
InChIInChI=1S/C5H7.V/c1-3-5-4-2;/h1,3H2,2H3;/q-1;
InChIKeyFFHYBDLBHPBIKK-UHFFFAOYSA-N
XLogP1.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.05
LogP ≤ 51.23
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of pent-2-yne;vanadium?
The IUPAC name of pent-2-yne;vanadium (CID 58531781) is pent-2-yne;vanadium.
What is the SMILES notation for pent-2-yne;vanadium?
The canonical SMILES for pent-2-yne;vanadium is [CH2-]CC#CC.[V].
What is the InChIKey of pent-2-yne;vanadium?
The InChIKey is FFHYBDLBHPBIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7.V/c1-3-5-4-2;/h1,3H2,2H3;/q-1;.
What are the key properties of pent-2-yne;vanadium?
pent-2-yne;vanadium has a molecular weight of 118.05 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pent-2-yne;vanadium is sourced from PubChem (CID 58531781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).