tetrakis(propan-1-olate);zinc

C12H28O4Zn-4 — CID 159306158

IUPACtetrakis(propan-1-olate);zinc
SMILESCCC[O-].CCC[O-].CCC[O-].CCC[O-].[Zn]
InChIInChI=1S/4C3H7O.Zn/c4*1-2-3-4;/h4*2-3H2,1H3;/q4*-1;
InChIKeyDLWOFSFQCNIFAT-UHFFFAOYSA-N
MW301.74 g/mol
LogP-0.98
Rot. Bonds4

About tetrakis(propan-1-olate);zinc

tetrakis(propan-1-olate);zinc (PubChem CID 159306158) has the molecular formula C12H28O4Zn-4 and a molecular weight of 301.74 g/mol. Its IUPAC name is tetrakis(propan-1-olate);zinc.

Molecular Properties

Compound Nametetrakis(propan-1-olate);zinc
PubChem CID159306158
Molecular FormulaC12H28O4Zn-4
Molecular Weight301.74 g/mol
Exact Mass300.13
IUPAC Nametetrakis(propan-1-olate);zinc
SMILESCCC[O-].CCC[O-].CCC[O-].CCC[O-].[Zn]
InChIInChI=1S/4C3H7O.Zn/c4*1-2-3-4;/h4*2-3H2,1H3;/q4*-1;
InChIKeyDLWOFSFQCNIFAT-UHFFFAOYSA-N
XLogP-0.98
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 5-0.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 57375981
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methylazanium;propan-1-olate
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bismuth;propan-1-olate;dihydroxide
CID 76962001
magnesium;iron(2+);tetrakis(propan-1-olate)
CID 159973455
calcium;ethanolate;propan-1-olate
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hydride;propan-1-olate;zirconium(4+);chloride
CID 18688191
chlorotitanium(3+);tris(propan-1-olate)
CID 13026523
indium(3+);propan-1-ol;tris(propan-1-olate)
CID 172808017
CID 22242269
CID 22242269
trilithium;tris(butan-1-olate)
CID 155673085

Frequently Asked Questions

What is the IUPAC name of tetrakis(propan-1-olate);zinc?
The IUPAC name of tetrakis(propan-1-olate);zinc (CID 159306158) is tetrakis(propan-1-olate);zinc.
What is the SMILES notation for tetrakis(propan-1-olate);zinc?
The canonical SMILES for tetrakis(propan-1-olate);zinc is CCC[O-].CCC[O-].CCC[O-].CCC[O-].[Zn].
What is the InChIKey of tetrakis(propan-1-olate);zinc?
The InChIKey is DLWOFSFQCNIFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/4C3H7O.Zn/c4*1-2-3-4;/h4*2-3H2,1H3;/q4*-1;.
What are the key properties of tetrakis(propan-1-olate);zinc?
tetrakis(propan-1-olate);zinc has a molecular weight of 301.74 g/mol, XLogP of -0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(propan-1-olate);zinc is sourced from PubChem (CID 159306158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).