bis(2-methylbutanoate);niobium(2+)

C10H18NbO4 — CID 18939928

IUPACbis(2-methylbutanoate);niobium(2+)
SMILESCCC(C)C(=O)[O-].CCC(C)C(=O)[O-].[Nb+2]
InChIInChI=1S/2C5H10O2.Nb/c2*1-3-4(2)5(6)7;/h2*4H,3H2,1-2H3,(H,6,7);/q;;+2/p-2
InChIKeyMASYNVDWCWFQOQ-UHFFFAOYSA-L
MW295.16 g/mol
LogP-0.44
Rot. Bonds4

About bis(2-methylbutanoate);niobium(2+)

bis(2-methylbutanoate);niobium(2+) (PubChem CID 18939928) has the molecular formula C10H18NbO4 and a molecular weight of 295.16 g/mol. Its IUPAC name is bis(2-methylbutanoate);niobium(2+).

Molecular Properties

Compound Namebis(2-methylbutanoate);niobium(2+)
PubChem CID18939928
Molecular FormulaC10H18NbO4
Molecular Weight295.16 g/mol
Exact Mass295.03
IUPAC Namebis(2-methylbutanoate);niobium(2+)
SMILESCCC(C)C(=O)[O-].CCC(C)C(=O)[O-].[Nb+2]
InChIInChI=1S/2C5H10O2.Nb/c2*1-3-4(2)5(6)7;/h2*4H,3H2,1-2H3,(H,6,7);/q;;+2/p-2
InChIKeyMASYNVDWCWFQOQ-UHFFFAOYSA-L
XLogP-0.44
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze bis(2-methylbutanoate);niobium(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylbutanoate
CID 91073357
cobalt(2+);bis((2R)-2-methylbutanoate)
CID 90199434
magnesium bis(2-methylbutanoate)
CID 88739715
2-methylbutanoate;tetrakis(3-methylbutyl)azanium
CID 155660503
lithium 2-ethyl-4-methylpentanedioate
CID 140808023
lithium 2-methylpentanoate
CID 122554466
magnesium bis(2-methylpentanoate)
CID 140813982
3-iodo-2-methylpropanoate
CID 19426736
(2R)-2-methylhexanoate
CID 6999857
copper bis(2-methylhexanoate)
CID 19768945
dipotassium;2-methylbutanedioate
CID 87067134
(2S)-2-methyl-4-oxopentanoate
CID 51382637

Frequently Asked Questions

What is the IUPAC name of bis(2-methylbutanoate);niobium(2+)?
The IUPAC name of bis(2-methylbutanoate);niobium(2+) (CID 18939928) is bis(2-methylbutanoate);niobium(2+).
What is the SMILES notation for bis(2-methylbutanoate);niobium(2+)?
The canonical SMILES for bis(2-methylbutanoate);niobium(2+) is CCC(C)C(=O)[O-].CCC(C)C(=O)[O-].[Nb+2].
What is the InChIKey of bis(2-methylbutanoate);niobium(2+)?
The InChIKey is MASYNVDWCWFQOQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H10O2.Nb/c2*1-3-4(2)5(6)7;/h2*4H,3H2,1-2H3,(H,6,7);/q;;+2/p-2.
What are the key properties of bis(2-methylbutanoate);niobium(2+)?
bis(2-methylbutanoate);niobium(2+) has a molecular weight of 295.16 g/mol, XLogP of -0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylbutanoate);niobium(2+) is sourced from PubChem (CID 18939928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).