2-methylpropan-1-ol;zirconium(3+)

C4H10OZr+3 — CID 150803706

IUPAC2-methylpropan-1-ol;zirconium(3+)
SMILESCC(C)CO.[Zr+3]
InChIInChI=1S/C4H10O.Zr/c1-4(2)3-5;/h4-5H,3H2,1-2H3;/q;+3
InChIKeyTWCZKGJKYCOLTQ-UHFFFAOYSA-N
MW165.35 g/mol
LogP0.63
Rot. Bonds1

About 2-methylpropan-1-ol;zirconium(3+)

2-methylpropan-1-ol;zirconium(3+) (PubChem CID 150803706) has the molecular formula C4H10OZr+3 and a molecular weight of 165.35 g/mol. Its IUPAC name is 2-methylpropan-1-ol;zirconium(3+).

Molecular Properties

Compound Name2-methylpropan-1-ol;zirconium(3+)
PubChem CID150803706
Molecular FormulaC4H10OZr+3
Molecular Weight165.35 g/mol
Exact Mass163.98
IUPAC Name2-methylpropan-1-ol;zirconium(3+)
SMILESCC(C)CO.[Zr+3]
InChIInChI=1S/C4H10O.Zr/c1-4(2)3-5;/h4-5H,3H2,1-2H3;/q;+3
InChIKeyTWCZKGJKYCOLTQ-UHFFFAOYSA-N
XLogP0.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.35
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-methylpropan-1-ol;zirconium;hydrochloride
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sodium;2-methylpropan-1-ol;chloride
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CID 174321240
chloroform;2-methylpropan-1-ol
CID 22625576
magnesium;hydride;2-methylpropan-1-ol;hydroiodide
CID 174198179
2,2-dimethylpropane;2-methylpropan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-1-ol;zirconium(3+)?
The IUPAC name of 2-methylpropan-1-ol;zirconium(3+) (CID 150803706) is 2-methylpropan-1-ol;zirconium(3+).
What is the SMILES notation for 2-methylpropan-1-ol;zirconium(3+)?
The canonical SMILES for 2-methylpropan-1-ol;zirconium(3+) is CC(C)CO.[Zr+3].
What is the InChIKey of 2-methylpropan-1-ol;zirconium(3+)?
The InChIKey is TWCZKGJKYCOLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.Zr/c1-4(2)3-5;/h4-5H,3H2,1-2H3;/q;+3.
What are the key properties of 2-methylpropan-1-ol;zirconium(3+)?
2-methylpropan-1-ol;zirconium(3+) has a molecular weight of 165.35 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-1-ol;zirconium(3+) is sourced from PubChem (CID 150803706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).