2,2,2-trimethoxyethanol;zirconium

C5H12O4Zr — CID 87320991

IUPAC2,2,2-trimethoxyethanol;zirconium
SMILESCOC(CO)(OC)OC.[Zr]
InChIInChI=1S/C5H12O4.Zr/c1-7-5(4-6,8-2)9-3;/h6H,4H2,1-3H3;
InChIKeyMRVMXMDVXOTSFA-UHFFFAOYSA-N
MW227.37 g/mol
LogP-0.43
Rot. Bonds4

About 2,2,2-trimethoxyethanol;zirconium

2,2,2-trimethoxyethanol;zirconium (PubChem CID 87320991) has the molecular formula C5H12O4Zr and a molecular weight of 227.37 g/mol. Its IUPAC name is 2,2,2-trimethoxyethanol;zirconium.

Molecular Properties

Compound Name2,2,2-trimethoxyethanol;zirconium
PubChem CID87320991
Molecular FormulaC5H12O4Zr
Molecular Weight227.37 g/mol
Exact Mass225.98
IUPAC Name2,2,2-trimethoxyethanol;zirconium
SMILESCOC(CO)(OC)OC.[Zr]
InChIInChI=1S/C5H12O4.Zr/c1-7-5(4-6,8-2)9-3;/h6H,4H2,1-3H3;
InChIKeyMRVMXMDVXOTSFA-UHFFFAOYSA-N
XLogP-0.43
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methoxybutane-1,2-diol
CID 88761953
2,2-dimethoxy-3-methylbutan-1-ol
CID 57218658
2-amino-2-methoxypropane-1,3-diol
CID 6420021
2-methoxy-2-methylpropane;2,2,2-trifluoroethanol
CID 156562872
2,2,2-tris(trimethylsilyloxy)ethanol
CID 87695361
2-(hydroxymethyl)-2-methoxybutanenitrile
CID 123789746
1,1-dimethoxypropyl hydrogen carbonate
CID 175172904
2,2,2-trimethoxyethyl dihydrogen phosphate
CID 54493735
CID 57115725
CID 57115725
2,2,2-tris(hydroxymethoxy)ethanol
CID 102144290
1,1-dimethoxypropyl(ethyl)silane
CID 159440115
butyl(1,1-dimethoxypropyl)silane
CID 175005469

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trimethoxyethanol;zirconium?
The IUPAC name of 2,2,2-trimethoxyethanol;zirconium (CID 87320991) is 2,2,2-trimethoxyethanol;zirconium.
What is the SMILES notation for 2,2,2-trimethoxyethanol;zirconium?
The canonical SMILES for 2,2,2-trimethoxyethanol;zirconium is COC(CO)(OC)OC.[Zr].
What is the InChIKey of 2,2,2-trimethoxyethanol;zirconium?
The InChIKey is MRVMXMDVXOTSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O4.Zr/c1-7-5(4-6,8-2)9-3;/h6H,4H2,1-3H3;.
What are the key properties of 2,2,2-trimethoxyethanol;zirconium?
2,2,2-trimethoxyethanol;zirconium has a molecular weight of 227.37 g/mol, XLogP of -0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trimethoxyethanol;zirconium is sourced from PubChem (CID 87320991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).