butan-1-ol;zirconium

C4H9OZr- — CID 87328506

IUPACbutan-1-ol;zirconium
SMILES[CH2-]CCCO.[Zr]
InChIInChI=1S/C4H9O.Zr/c1-2-3-4-5;/h5H,1-4H2;/q-1;
InChIKeyIZJJZEMGDRSFDH-UHFFFAOYSA-N
MW164.34 g/mol
LogP0.59
Rot. Bonds2

About butan-1-ol;zirconium

butan-1-ol;zirconium (PubChem CID 87328506) has the molecular formula C4H9OZr- and a molecular weight of 164.34 g/mol. Its IUPAC name is butan-1-ol;zirconium.

Molecular Properties

Compound Namebutan-1-ol;zirconium
PubChem CID87328506
Molecular FormulaC4H9OZr-
Molecular Weight164.34 g/mol
Exact Mass162.97
IUPAC Namebutan-1-ol;zirconium
SMILES[CH2-]CCCO.[Zr]
InChIInChI=1S/C4H9O.Zr/c1-2-3-4-5;/h5H,1-4H2;/q-1;
InChIKeyIZJJZEMGDRSFDH-UHFFFAOYSA-N
XLogP0.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.34
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 87176299
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CID 21202869
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CID 518994
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CID 163483777

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;zirconium?
The IUPAC name of butan-1-ol;zirconium (CID 87328506) is butan-1-ol;zirconium.
What is the SMILES notation for butan-1-ol;zirconium?
The canonical SMILES for butan-1-ol;zirconium is [CH2-]CCCO.[Zr].
What is the InChIKey of butan-1-ol;zirconium?
The InChIKey is IZJJZEMGDRSFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.Zr/c1-2-3-4-5;/h5H,1-4H2;/q-1;.
What are the key properties of butan-1-ol;zirconium?
butan-1-ol;zirconium has a molecular weight of 164.34 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;zirconium is sourced from PubChem (CID 87328506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).