ethane;ethanol;zirconium(2+)

C8H22O2Zr — CID 23068931

IUPACethane;ethanol;zirconium(2+)
SMILESCCO.CCO.[CH2-]C.[CH2-]C.[Zr+2]
InChIInChI=1S/2C2H6O.2C2H5.Zr/c2*1-2-3;2*1-2;/h2*3H,2H2,1H3;2*1H2,2H3;/q;;2*-1;+2
InChIKeyHVPWYTIXNLTABJ-UHFFFAOYSA-N
MW241.49 g/mol
LogP1.68
Rot. Bonds

About ethane;ethanol;zirconium(2+)

ethane;ethanol;zirconium(2+) (PubChem CID 23068931) has the molecular formula C8H22O2Zr and a molecular weight of 241.49 g/mol. Its IUPAC name is ethane;ethanol;zirconium(2+).

Molecular Properties

Compound Nameethane;ethanol;zirconium(2+)
PubChem CID23068931
Molecular FormulaC8H22O2Zr
Molecular Weight241.49 g/mol
Exact Mass240.07
IUPAC Nameethane;ethanol;zirconium(2+)
SMILESCCO.CCO.[CH2-]C.[CH2-]C.[Zr+2]
InChIInChI=1S/2C2H6O.2C2H5.Zr/c2*1-2-3;2*1-2;/h2*3H,2H2,1H3;2*1H2,2H3;/q;;2*-1;+2
InChIKeyHVPWYTIXNLTABJ-UHFFFAOYSA-N
XLogP1.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.49
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;ethanol;zirconium(2+)?
The IUPAC name of ethane;ethanol;zirconium(2+) (CID 23068931) is ethane;ethanol;zirconium(2+).
What is the SMILES notation for ethane;ethanol;zirconium(2+)?
The canonical SMILES for ethane;ethanol;zirconium(2+) is CCO.CCO.[CH2-]C.[CH2-]C.[Zr+2].
What is the InChIKey of ethane;ethanol;zirconium(2+)?
The InChIKey is HVPWYTIXNLTABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H6O.2C2H5.Zr/c2*1-2-3;2*1-2;/h2*3H,2H2,1H3;2*1H2,2H3;/q;;2*-1;+2.
What are the key properties of ethane;ethanol;zirconium(2+)?
ethane;ethanol;zirconium(2+) has a molecular weight of 241.49 g/mol, XLogP of 1.68, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethanol;zirconium(2+) is sourced from PubChem (CID 23068931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).