tetrakis(hexan-3-olate);zirconium(4+)

C24H52O4Zr — CID 161428772

IUPACtetrakis(hexan-3-olate);zirconium(4+)
SMILESCCCC([O-])CC.CCCC([O-])CC.CCCC([O-])CC.CCCC([O-])CC.[Zr+4]
InChIInChI=1S/4C6H13O.Zr/c4*1-3-5-6(7)4-2;/h4*6H,3-5H2,1-2H3;/q4*-1;+4
InChIKeyVXSNBXWTJGJXLG-UHFFFAOYSA-N
MW495.90 g/mol
LogP3.70
Rot. Bonds12

About tetrakis(hexan-3-olate);zirconium(4+)

tetrakis(hexan-3-olate);zirconium(4+) (PubChem CID 161428772) has the molecular formula C24H52O4Zr and a molecular weight of 495.90 g/mol. Its IUPAC name is tetrakis(hexan-3-olate);zirconium(4+).

Molecular Properties

Compound Nametetrakis(hexan-3-olate);zirconium(4+)
PubChem CID161428772
Molecular FormulaC24H52O4Zr
Molecular Weight495.90 g/mol
Exact Mass494.29
IUPAC Nametetrakis(hexan-3-olate);zirconium(4+)
SMILESCCCC([O-])CC.CCCC([O-])CC.CCCC([O-])CC.CCCC([O-])CC.[Zr+4]
InChIInChI=1S/4C6H13O.Zr/c4*1-3-5-6(7)4-2;/h4*6H,3-5H2,1-2H3;/q4*-1;+4
InChIKeyVXSNBXWTJGJXLG-UHFFFAOYSA-N
XLogP3.70
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.90
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tetrakis(hexan-3-olate);titanium(4+)
CID 158546387
potassium heptan-3-olate
CID 140992163
tetrakis(octan-3-olate);titanium(4+)
CID 22250648
tetrakis(nonan-5-olate);tin(4+)
CID 160574109
4,5-diethyloctane
CID 519254
N-pentan-3-ylhexan-3-amine
CID 62118915
lithium 2-methylpentan-1-olate
CID 87387163
4-ethylheptane;methane
CID 143165373
CID 91524756
CID 91524756
dilithium;(3R)-undecan-3-olate
CID 134905430
sodium 1-aminododecan-2-olate
CID 88793038
hexan-3-ol
CID 12178

Frequently Asked Questions

What is the IUPAC name of tetrakis(hexan-3-olate);zirconium(4+)?
The IUPAC name of tetrakis(hexan-3-olate);zirconium(4+) (CID 161428772) is tetrakis(hexan-3-olate);zirconium(4+).
What is the SMILES notation for tetrakis(hexan-3-olate);zirconium(4+)?
The canonical SMILES for tetrakis(hexan-3-olate);zirconium(4+) is CCCC([O-])CC.CCCC([O-])CC.CCCC([O-])CC.CCCC([O-])CC.[Zr+4].
What is the InChIKey of tetrakis(hexan-3-olate);zirconium(4+)?
The InChIKey is VXSNBXWTJGJXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H13O.Zr/c4*1-3-5-6(7)4-2;/h4*6H,3-5H2,1-2H3;/q4*-1;+4.
What are the key properties of tetrakis(hexan-3-olate);zirconium(4+)?
tetrakis(hexan-3-olate);zirconium(4+) has a molecular weight of 495.90 g/mol, XLogP of 3.70, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(hexan-3-olate);zirconium(4+) is sourced from PubChem (CID 161428772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).