pentakis(butan-2-olate);vanadium

C20H45O5V-5 — CID 18430528

IUPACpentakis(butan-2-olate);vanadium
SMILESCCC(C)[O-].CCC(C)[O-].CCC(C)[O-].CCC(C)[O-].CCC(C)[O-].[V]
InChIInChI=1S/5C4H9O.V/c5*1-3-4(2)5;/h5*4H,3H2,1-2H3;/q5*-1;
InChIKeyCOKZQTALFYWQGU-UHFFFAOYSA-N
MW416.52 g/mol
LogP0.72
Rot. Bonds5

About pentakis(butan-2-olate);vanadium

pentakis(butan-2-olate);vanadium (PubChem CID 18430528) has the molecular formula C20H45O5V-5 and a molecular weight of 416.52 g/mol. Its IUPAC name is pentakis(butan-2-olate);vanadium.

Molecular Properties

Compound Namepentakis(butan-2-olate);vanadium
PubChem CID18430528
Molecular FormulaC20H45O5V-5
Molecular Weight416.52 g/mol
Exact Mass416.27
IUPAC Namepentakis(butan-2-olate);vanadium
SMILESCCC(C)[O-].CCC(C)[O-].CCC(C)[O-].CCC(C)[O-].CCC(C)[O-].[V]
InChIInChI=1S/5C4H9O.V/c5*1-3-4(2)5;/h5*4H,3H2,1-2H3;/q5*-1;
InChIKeyCOKZQTALFYWQGU-UHFFFAOYSA-N
XLogP0.72
TPSA115.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pentakis(butan-2-olate);vanadium?
The IUPAC name of pentakis(butan-2-olate);vanadium (CID 18430528) is pentakis(butan-2-olate);vanadium.
What is the SMILES notation for pentakis(butan-2-olate);vanadium?
The canonical SMILES for pentakis(butan-2-olate);vanadium is CCC(C)[O-].CCC(C)[O-].CCC(C)[O-].CCC(C)[O-].CCC(C)[O-].[V].
What is the InChIKey of pentakis(butan-2-olate);vanadium?
The InChIKey is COKZQTALFYWQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/5C4H9O.V/c5*1-3-4(2)5;/h5*4H,3H2,1-2H3;/q5*-1;.
What are the key properties of pentakis(butan-2-olate);vanadium?
pentakis(butan-2-olate);vanadium has a molecular weight of 416.52 g/mol, XLogP of 0.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(butan-2-olate);vanadium is sourced from PubChem (CID 18430528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).