methanol;zirconium;dihydrate

C2H12O4Zr — CID 164789289

IUPACmethanol;zirconium;dihydrate
SMILESCO.CO.O.O.[Zr]
InChIInChI=1S/2CH4O.2H2O.Zr/c2*1-2;;;/h2*2H,1H3;2*1H2;
InChIKeySKKPEQJERSGIHC-UHFFFAOYSA-N
MW191.34 g/mol
LogP-2.43
Rot. Bonds

About methanol;zirconium;dihydrate

methanol;zirconium;dihydrate (PubChem CID 164789289) has the molecular formula C2H12O4Zr and a molecular weight of 191.34 g/mol. Its IUPAC name is methanol;zirconium;dihydrate.

Molecular Properties

Compound Namemethanol;zirconium;dihydrate
PubChem CID164789289
Molecular FormulaC2H12O4Zr
Molecular Weight191.34 g/mol
Exact Mass189.98
IUPAC Namemethanol;zirconium;dihydrate
SMILESCO.CO.O.O.[Zr]
InChIInChI=1S/2CH4O.2H2O.Zr/c2*1-2;;;/h2*2H,1H3;2*1H2;
InChIKeySKKPEQJERSGIHC-UHFFFAOYSA-N
XLogP-2.43
TPSA103.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.34
LogP ≤ 5-2.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methanol;zirconium;dihydrate?
The IUPAC name of methanol;zirconium;dihydrate (CID 164789289) is methanol;zirconium;dihydrate.
What is the SMILES notation for methanol;zirconium;dihydrate?
The canonical SMILES for methanol;zirconium;dihydrate is CO.CO.O.O.[Zr].
What is the InChIKey of methanol;zirconium;dihydrate?
The InChIKey is SKKPEQJERSGIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/2CH4O.2H2O.Zr/c2*1-2;;;/h2*2H,1H3;2*1H2;.
What are the key properties of methanol;zirconium;dihydrate?
methanol;zirconium;dihydrate has a molecular weight of 191.34 g/mol, XLogP of -2.43, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;zirconium;dihydrate is sourced from PubChem (CID 164789289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).