2-methylprop-2-en-1-ol;zirconium

C4H8OZr — CID 88651592

IUPAC2-methylprop-2-en-1-ol;zirconium
SMILESC=C(C)CO.[Zr]
InChIInChI=1S/C4H8O.Zr/c1-4(2)3-5;/h5H,1,3H2,2H3;
InChIKeyWXKMSCLUDKFINM-UHFFFAOYSA-N
MW163.33 g/mol
LogP0.55
Rot. Bonds1

About 2-methylprop-2-en-1-ol;zirconium

2-methylprop-2-en-1-ol;zirconium (PubChem CID 88651592) has the molecular formula C4H8OZr and a molecular weight of 163.33 g/mol. Its IUPAC name is 2-methylprop-2-en-1-ol;zirconium.

Molecular Properties

Compound Name2-methylprop-2-en-1-ol;zirconium
PubChem CID88651592
Molecular FormulaC4H8OZr
Molecular Weight163.33 g/mol
Exact Mass161.96
IUPAC Name2-methylprop-2-en-1-ol;zirconium
SMILESC=C(C)CO.[Zr]
InChIInChI=1S/C4H8O.Zr/c1-4(2)3-5;/h5H,1,3H2,2H3;
InChIKeyWXKMSCLUDKFINM-UHFFFAOYSA-N
XLogP0.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.33
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methylprop-2-en-1-ol;oxirane
CID 87800539
butane;ethane;2-methylbut-1-ene
CID 142050807
ethane-1,2-diol;bis(2-methylprop-1-ene)
CID 158620433
tetrakis(ethane-1,2-diol);2-methylprop-1-ene
CID 173101980
2-methylbut-3-enal;2-methylprop-2-en-1-ol
CID 88783998
2-(3-methylbut-3-enyl)propane-1,3-diol
CID 140988004
2-methylprop-2-enylsilane
CID 71339847
ethane-1,2-diol;prop-1-en-2-ol
CID 87135468
methane;bis(2-methylbut-1-ene)
CID 160529780
butane;ethane;2-methylprop-1-ene
CID 142168819
1,1-difluoroethene;ethanol
CID 19891756
(2-methylprop-2-enylamino)methanol
CID 19091971

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-en-1-ol;zirconium?
The IUPAC name of 2-methylprop-2-en-1-ol;zirconium (CID 88651592) is 2-methylprop-2-en-1-ol;zirconium.
What is the SMILES notation for 2-methylprop-2-en-1-ol;zirconium?
The canonical SMILES for 2-methylprop-2-en-1-ol;zirconium is C=C(C)CO.[Zr].
What is the InChIKey of 2-methylprop-2-en-1-ol;zirconium?
The InChIKey is WXKMSCLUDKFINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.Zr/c1-4(2)3-5;/h5H,1,3H2,2H3;.
What are the key properties of 2-methylprop-2-en-1-ol;zirconium?
2-methylprop-2-en-1-ol;zirconium has a molecular weight of 163.33 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-en-1-ol;zirconium is sourced from PubChem (CID 88651592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).