pentane-2,3-dione;vanadium

C5H8O2V — CID 157322907

IUPACpentane-2,3-dione;vanadium
SMILESCCC(=O)C(C)=O.[V]
InChIInChI=1S/C5H8O2.V/c1-3-5(7)4(2)6;/h3H2,1-2H3;
InChIKeyBEJMTNGCQUIIFB-UHFFFAOYSA-N
MW151.06 g/mol
LogP0.55
Rot. Bonds2

About pentane-2,3-dione;vanadium

pentane-2,3-dione;vanadium (PubChem CID 157322907) has the molecular formula C5H8O2V and a molecular weight of 151.06 g/mol. Its IUPAC name is pentane-2,3-dione;vanadium.

Molecular Properties

Compound Namepentane-2,3-dione;vanadium
PubChem CID157322907
Molecular FormulaC5H8O2V
Molecular Weight151.06 g/mol
Exact Mass151.00
IUPAC Namepentane-2,3-dione;vanadium
SMILESCCC(=O)C(C)=O.[V]
InChIInChI=1S/C5H8O2.V/c1-3-5(7)4(2)6;/h3H2,1-2H3;
InChIKeyBEJMTNGCQUIIFB-UHFFFAOYSA-N
XLogP0.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.06
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of pentane-2,3-dione;vanadium?
The IUPAC name of pentane-2,3-dione;vanadium (CID 157322907) is pentane-2,3-dione;vanadium.
What is the SMILES notation for pentane-2,3-dione;vanadium?
The canonical SMILES for pentane-2,3-dione;vanadium is CCC(=O)C(C)=O.[V].
What is the InChIKey of pentane-2,3-dione;vanadium?
The InChIKey is BEJMTNGCQUIIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.V/c1-3-5(7)4(2)6;/h3H2,1-2H3;.
What are the key properties of pentane-2,3-dione;vanadium?
pentane-2,3-dione;vanadium has a molecular weight of 151.06 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentane-2,3-dione;vanadium is sourced from PubChem (CID 157322907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).