nonadeca-1,3,5,7,9,11,13,15,17-nonayne;oxovanadium

C19H3OV- — CID 58372598

IUPACnonadeca-1,3,5,7,9,11,13,15,17-nonayne;oxovanadium
SMILESO=[V].[C-]#CC#CC#CC#CC#CC#CC#CC#CC#CC
InChIInChI=1S/C19H3.O.V/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;;/h1H3;;/q-1;;
InChIKeyQDERAFXOXQEAKJ-UHFFFAOYSA-N
MW298.18 g/mol
LogP0.50
Rot. Bonds

About nonadeca-1,3,5,7,9,11,13,15,17-nonayne;oxovanadium

nonadeca-1,3,5,7,9,11,13,15,17-nonayne;oxovanadium (PubChem CID 58372598) has the molecular formula C19H3OV- and a molecular weight of 298.18 g/mol. Its IUPAC name is nonadeca-1,3,5,7,9,11,13,15,17-nonayne;oxovanadium.

Molecular Properties

Compound Namenonadeca-1,3,5,7,9,11,13,15,17-nonayne;oxovanadium
PubChem CID58372598
Molecular FormulaC19H3OV-
Molecular Weight298.18 g/mol
Exact Mass297.96
IUPAC Namenonadeca-1,3,5,7,9,11,13,15,17-nonayne;oxovanadium
SMILESO=[V].[C-]#CC#CC#CC#CC#CC#CC#CC#CC#CC
InChIInChI=1S/C19H3.O.V/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;;/h1H3;;/q-1;;
InChIKeyQDERAFXOXQEAKJ-UHFFFAOYSA-N
XLogP0.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 nonadeca-1,3,5,7,9,11,13,15,17-nonayne;oxovanadium?
The IUPAC name of nonadeca-1,3,5,7,9,11,13,15,17-nonayne;oxovanadium (CID 58372598) is nonadeca-1,3,5,7,9,11,13,15,17-nonayne;oxovanadium.
What is the SMILES notation for nonadeca-1,3,5,7,9,11,13,15,17-nonayne;oxovanadium?
The canonical SMILES for nonadeca-1,3,5,7,9,11,13,15,17-nonayne;oxovanadium is O=[V].[C-]#CC#CC#CC#CC#CC#CC#CC#CC#CC.
What is the InChIKey of nonadeca-1,3,5,7,9,11,13,15,17-nonayne;oxovanadium?
The InChIKey is QDERAFXOXQEAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H3.O.V/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;;/h1H3;;/q-1;;.
What are the key properties of nonadeca-1,3,5,7,9,11,13,15,17-nonayne;oxovanadium?
nonadeca-1,3,5,7,9,11,13,15,17-nonayne;oxovanadium has a molecular weight of 298.18 g/mol, XLogP of 0.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nonadeca-1,3,5,7,9,11,13,15,17-nonayne;oxovanadium is sourced from PubChem (CID 58372598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).