tris(butan-1-ol);zirconium

C12H30O3Zr — CID 25200102

IUPACtris(butan-1-ol);zirconium
SMILESCCCCO.CCCCO.CCCCO.[Zr]
InChIInChI=1S/3C4H10O.Zr/c3*1-2-3-4-5;/h3*5H,2-4H2,1H3;
InChIKeyOGDGTJZLRWKZAM-UHFFFAOYSA-N
MW313.59 g/mol
LogP2.33
Rot. Bonds6

About tris(butan-1-ol);zirconium

tris(butan-1-ol);zirconium (PubChem CID 25200102) has the molecular formula C12H30O3Zr and a molecular weight of 313.59 g/mol. Its IUPAC name is tris(butan-1-ol);zirconium.

Molecular Properties

Compound Nametris(butan-1-ol);zirconium
PubChem CID25200102
Molecular FormulaC12H30O3Zr
Molecular Weight313.59 g/mol
Exact Mass312.12
IUPAC Nametris(butan-1-ol);zirconium
SMILESCCCCO.CCCCO.CCCCO.[Zr]
InChIInChI=1S/3C4H10O.Zr/c3*1-2-3-4-5;/h3*5H,2-4H2,1H3;
InChIKeyOGDGTJZLRWKZAM-UHFFFAOYSA-N
XLogP2.33
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.59
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tris(butan-1-ol);zirconium?
The IUPAC name of tris(butan-1-ol);zirconium (CID 25200102) is tris(butan-1-ol);zirconium.
What is the SMILES notation for tris(butan-1-ol);zirconium?
The canonical SMILES for tris(butan-1-ol);zirconium is CCCCO.CCCCO.CCCCO.[Zr].
What is the InChIKey of tris(butan-1-ol);zirconium?
The InChIKey is OGDGTJZLRWKZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H10O.Zr/c3*1-2-3-4-5;/h3*5H,2-4H2,1H3;.
What are the key properties of tris(butan-1-ol);zirconium?
tris(butan-1-ol);zirconium has a molecular weight of 313.59 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(butan-1-ol);zirconium is sourced from PubChem (CID 25200102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).