zinc;propane;formate

C4H8O2Zn — CID 159113453

IUPACzinc;propane;formate
SMILESO=C[O-].[CH2-]CC.[Zn+2]
InChIInChI=1S/C3H7.CH2O2.Zn/c1-3-2;2-1-3;/h1,3H2,2H3;1H,(H,2,3);/q-1;;+2/p-1
InChIKeyMSWZBJKEYKASMU-UHFFFAOYSA-M
MW153.50 g/mol
LogP-0.41
Rot. Bonds

About zinc;propane;formate

zinc;propane;formate (PubChem CID 159113453) has the molecular formula C4H8O2Zn and a molecular weight of 153.50 g/mol. Its IUPAC name is zinc;propane;formate.

Molecular Properties

Compound Namezinc;propane;formate
PubChem CID159113453
Molecular FormulaC4H8O2Zn
Molecular Weight153.50 g/mol
Exact Mass151.98
IUPAC Namezinc;propane;formate
SMILESO=C[O-].[CH2-]CC.[Zn+2]
InChIInChI=1S/C3H7.CH2O2.Zn/c1-3-2;2-1-3;/h1,3H2,2H3;1H,(H,2,3);/q-1;;+2/p-1
InChIKeyMSWZBJKEYKASMU-UHFFFAOYSA-M
XLogP-0.41
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.50
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of zinc;propane;formate?
The IUPAC name of zinc;propane;formate (CID 159113453) is zinc;propane;formate.
What is the SMILES notation for zinc;propane;formate?
The canonical SMILES for zinc;propane;formate is O=C[O-].[CH2-]CC.[Zn+2].
What is the InChIKey of zinc;propane;formate?
The InChIKey is MSWZBJKEYKASMU-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7.CH2O2.Zn/c1-3-2;2-1-3;/h1,3H2,2H3;1H,(H,2,3);/q-1;;+2/p-1.
What are the key properties of zinc;propane;formate?
zinc;propane;formate has a molecular weight of 153.50 g/mol, XLogP of -0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;propane;formate is sourced from PubChem (CID 159113453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).