zinc;butanoate;2-methanidyloxirane

C7H12O3Zn — CID 174880277

IUPACzinc;butanoate;2-methanidyloxirane
SMILESCCCC(=O)[O-].[CH2-]C1CO1.[Zn+2]
InChIInChI=1S/C4H8O2.C3H5O.Zn/c1-2-3-4(5)6;1-3-2-4-3;/h2-3H2,1H3,(H,5,6);3H,1-2H2;/q;-1;+2/p-1
InChIKeyRINMFQJYYSAFTH-UHFFFAOYSA-M
MW209.56 g/mol
LogP-0.25
Rot. Bonds2

About zinc;butanoate;2-methanidyloxirane

zinc;butanoate;2-methanidyloxirane (PubChem CID 174880277) has the molecular formula C7H12O3Zn and a molecular weight of 209.56 g/mol. Its IUPAC name is zinc;butanoate;2-methanidyloxirane.

Molecular Properties

Compound Namezinc;butanoate;2-methanidyloxirane
PubChem CID174880277
Molecular FormulaC7H12O3Zn
Molecular Weight209.56 g/mol
Exact Mass208.01
IUPAC Namezinc;butanoate;2-methanidyloxirane
SMILESCCCC(=O)[O-].[CH2-]C1CO1.[Zn+2]
InChIInChI=1S/C4H8O2.C3H5O.Zn/c1-2-3-4(5)6;1-3-2-4-3;/h2-3H2,1H3,(H,5,6);3H,1-2H2;/q;-1;+2/p-1
InChIKeyRINMFQJYYSAFTH-UHFFFAOYSA-M
XLogP-0.25
TPSA52.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.56
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

butanoate;ytterbium(2+)
CID 88777454
tetrapotassium;butanoate
CID 140982885
silver butanoate
CID 14944495
strontium butanoate
CID 19035288
butanoate;bis(rhodium(3+))
CID 173415846
butanoate;tin(4+)
CID 159447903
potassium butanoate
CID 23677461
magnesium butanoate
CID 6453218
disodium;butanoate;hydroxide
CID 173219323
butanoate;silicon(4+);titanium(4+)
CID 158800899
butanoate;titanium(2+);acetate
CID 87845450
butanoate;titanium(4+);acetate
CID 159866524

Frequently Asked Questions

What is the IUPAC name of zinc;butanoate;2-methanidyloxirane?
The IUPAC name of zinc;butanoate;2-methanidyloxirane (CID 174880277) is zinc;butanoate;2-methanidyloxirane.
What is the SMILES notation for zinc;butanoate;2-methanidyloxirane?
The canonical SMILES for zinc;butanoate;2-methanidyloxirane is CCCC(=O)[O-].[CH2-]C1CO1.[Zn+2].
What is the InChIKey of zinc;butanoate;2-methanidyloxirane?
The InChIKey is RINMFQJYYSAFTH-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O2.C3H5O.Zn/c1-2-3-4(5)6;1-3-2-4-3;/h2-3H2,1H3,(H,5,6);3H,1-2H2;/q;-1;+2/p-1.
What are the key properties of zinc;butanoate;2-methanidyloxirane?
zinc;butanoate;2-methanidyloxirane has a molecular weight of 209.56 g/mol, XLogP of -0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;butanoate;2-methanidyloxirane is sourced from PubChem (CID 174880277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).