tetrakis(cyclooctanol);zirconium

C32H64O4Zr — CID 142301923

IUPACtetrakis(cyclooctanol);zirconium
SMILESOC1CCCCCCC1.OC1CCCCCCC1.OC1CCCCCCC1.OC1CCCCCCC1.[Zr]
InChIInChI=1S/4C8H16O.Zr/c4*9-8-6-4-2-1-3-5-7-8;/h4*8-9H,1-7H2;
InChIKeySCJYONQGBAZZLJ-UHFFFAOYSA-N
MW604.08 g/mol
LogP8.36
Rot. Bonds

About tetrakis(cyclooctanol);zirconium

tetrakis(cyclooctanol);zirconium (PubChem CID 142301923) has the molecular formula C32H64O4Zr and a molecular weight of 604.08 g/mol. Its IUPAC name is tetrakis(cyclooctanol);zirconium.

Molecular Properties

Compound Nametetrakis(cyclooctanol);zirconium
PubChem CID142301923
Molecular FormulaC32H64O4Zr
Molecular Weight604.08 g/mol
Exact Mass602.39
IUPAC Nametetrakis(cyclooctanol);zirconium
SMILESOC1CCCCCCC1.OC1CCCCCCC1.OC1CCCCCCC1.OC1CCCCCCC1.[Zr]
InChIInChI=1S/4C8H16O.Zr/c4*9-8-6-4-2-1-3-5-7-8;/h4*8-9H,1-7H2;
InChIKeySCJYONQGBAZZLJ-UHFFFAOYSA-N
XLogP8.36
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.08
LogP ≤ 58.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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cyclohexanol;methanol
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cyclopentanol;dihydrochloride
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CID 167679023
bis(carbon dioxide);bis(cyclohexanol)
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cis-(1S,3R)-cyclooctane-1,3-diol
CID 59075450
cyclohexanol;prop-1-ene
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Frequently Asked Questions

What is the IUPAC name of tetrakis(cyclooctanol);zirconium?
The IUPAC name of tetrakis(cyclooctanol);zirconium (CID 142301923) is tetrakis(cyclooctanol);zirconium.
What is the SMILES notation for tetrakis(cyclooctanol);zirconium?
The canonical SMILES for tetrakis(cyclooctanol);zirconium is OC1CCCCCCC1.OC1CCCCCCC1.OC1CCCCCCC1.OC1CCCCCCC1.[Zr].
What is the InChIKey of tetrakis(cyclooctanol);zirconium?
The InChIKey is SCJYONQGBAZZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C8H16O.Zr/c4*9-8-6-4-2-1-3-5-7-8;/h4*8-9H,1-7H2;.
What are the key properties of tetrakis(cyclooctanol);zirconium?
tetrakis(cyclooctanol);zirconium has a molecular weight of 604.08 g/mol, XLogP of 8.36, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(cyclooctanol);zirconium is sourced from PubChem (CID 142301923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).