2-methylbutan-1-ol;zirconium

C5H12OZr — CID 152608404

IUPAC2-methylbutan-1-ol;zirconium
SMILESCCC(C)CO.[Zr]
InChIInChI=1S/C5H12O.Zr/c1-3-5(2)4-6;/h5-6H,3-4H2,1-2H3;
InChIKeyHHERVQDDYMSVST-UHFFFAOYSA-N
MW179.37 g/mol
LogP1.02
Rot. Bonds2

About 2-methylbutan-1-ol;zirconium

2-methylbutan-1-ol;zirconium (PubChem CID 152608404) has the molecular formula C5H12OZr and a molecular weight of 179.37 g/mol. Its IUPAC name is 2-methylbutan-1-ol;zirconium.

Molecular Properties

Compound Name2-methylbutan-1-ol;zirconium
PubChem CID152608404
Molecular FormulaC5H12OZr
Molecular Weight179.37 g/mol
Exact Mass177.99
IUPAC Name2-methylbutan-1-ol;zirconium
SMILESCCC(C)CO.[Zr]
InChIInChI=1S/C5H12O.Zr/c1-3-5(2)4-6;/h5-6H,3-4H2,1-2H3;
InChIKeyHHERVQDDYMSVST-UHFFFAOYSA-N
XLogP1.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.37
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,4R,6R,8R,10R)-2,4,6,8,10-pentamethyldodecan-1-ol
CID 54763066
ethane;2-methylpropane-1,3-diol
CID 87127502
(2S,3S)-2-amino-3-methylpentanoic acid;2-methylbutan-1-ol
CID 90040731
2,4-dimethylpentane-1,5-diol
CID 10964552
ethane;3-methylpentane
CID 91147782
methane;3-methylpentane
CID 157218592
3-methylpentane;hydrate
CID 144914279
methane;3-methylpentane
CID 153359275
3-methylpentane;propane
CID 123266773
2-amino-4-methylhexan-1-ol;hydrochloride
CID 55253854
2-(2-methylbutylamino)propane-1,3-diol
CID 65312864
2-methoxy-1,3-dimethylbenzene;2-methylbutan-1-ol
CID 66965840

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-1-ol;zirconium?
The IUPAC name of 2-methylbutan-1-ol;zirconium (CID 152608404) is 2-methylbutan-1-ol;zirconium.
What is the SMILES notation for 2-methylbutan-1-ol;zirconium?
The canonical SMILES for 2-methylbutan-1-ol;zirconium is CCC(C)CO.[Zr].
What is the InChIKey of 2-methylbutan-1-ol;zirconium?
The InChIKey is HHERVQDDYMSVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.Zr/c1-3-5(2)4-6;/h5-6H,3-4H2,1-2H3;.
What are the key properties of 2-methylbutan-1-ol;zirconium?
2-methylbutan-1-ol;zirconium has a molecular weight of 179.37 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-1-ol;zirconium is sourced from PubChem (CID 152608404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).