diiodozirconium;bis(pentan-1-ol)

C10H24I2O2Zr — CID 18688311

IUPACdiiodozirconium;bis(pentan-1-ol)
SMILESCCCCCO.CCCCCO.I[Zr]I
InChIInChI=1S/2C5H12O.2HI.Zr/c2*1-2-3-4-5-6;;;/h2*6H,2-5H2,1H3;2*1H;/q;;;;+2/p-2
InChIKeyZCXDCRWOMHTELI-UHFFFAOYSA-L
MW521.33 g/mol
LogP4.11
Rot. Bonds6

About diiodozirconium;bis(pentan-1-ol)

diiodozirconium;bis(pentan-1-ol) (PubChem CID 18688311) has the molecular formula C10H24I2O2Zr and a molecular weight of 521.33 g/mol. Its IUPAC name is diiodozirconium;bis(pentan-1-ol).

Molecular Properties

Compound Namediiodozirconium;bis(pentan-1-ol)
PubChem CID18688311
Molecular FormulaC10H24I2O2Zr
Molecular Weight521.33 g/mol
Exact Mass519.89
IUPAC Namediiodozirconium;bis(pentan-1-ol)
SMILESCCCCCO.CCCCCO.I[Zr]I
InChIInChI=1S/2C5H12O.2HI.Zr/c2*1-2-3-4-5-6;;;/h2*6H,2-5H2,1H3;2*1H;/q;;;;+2/p-2
InChIKeyZCXDCRWOMHTELI-UHFFFAOYSA-L
XLogP4.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.33
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(hexan-1-ol);zirconium;dihydrate
CID 175523338
azane;decan-1-ol;hydrate
CID 174925863
hexan-1-ol;hydrate;hydrochloride
CID 86720799
octan-1-ol;titanium;trihydrate
CID 87862444
pentan-1-ol;propane
CID 87763104
octan-1-ol;pentane-1,5-diol
CID 174867151
hexadecane;hexadecan-1-ol
CID 22418546
pentan-1-ol;yttrium
CID 154312100
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596

Frequently Asked Questions

What is the IUPAC name of diiodozirconium;bis(pentan-1-ol)?
The IUPAC name of diiodozirconium;bis(pentan-1-ol) (CID 18688311) is diiodozirconium;bis(pentan-1-ol).
What is the SMILES notation for diiodozirconium;bis(pentan-1-ol)?
The canonical SMILES for diiodozirconium;bis(pentan-1-ol) is CCCCCO.CCCCCO.I[Zr]I.
What is the InChIKey of diiodozirconium;bis(pentan-1-ol)?
The InChIKey is ZCXDCRWOMHTELI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H12O.2HI.Zr/c2*1-2-3-4-5-6;;;/h2*6H,2-5H2,1H3;2*1H;/q;;;;+2/p-2.
What are the key properties of diiodozirconium;bis(pentan-1-ol)?
diiodozirconium;bis(pentan-1-ol) has a molecular weight of 521.33 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diiodozirconium;bis(pentan-1-ol) is sourced from PubChem (CID 18688311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).