4,4,4-triethoxybutan-1-ol;zirconium

C10H22O4Zr — CID 151616246

IUPAC4,4,4-triethoxybutan-1-ol;zirconium
SMILESCCOC(CCCO)(OCC)OCC.[Zr]
InChIInChI=1S/C10H22O4.Zr/c1-4-12-10(13-5-2,14-6-3)8-7-9-11;/h11H,4-9H2,1-3H3;
InChIKeyGFSYHQPHFSNUQG-UHFFFAOYSA-N
MW297.51 g/mol
LogP1.52
Rot. Bonds9

About 4,4,4-triethoxybutan-1-ol;zirconium

4,4,4-triethoxybutan-1-ol;zirconium (PubChem CID 151616246) has the molecular formula C10H22O4Zr and a molecular weight of 297.51 g/mol. Its IUPAC name is 4,4,4-triethoxybutan-1-ol;zirconium.

Molecular Properties

Compound Name4,4,4-triethoxybutan-1-ol;zirconium
PubChem CID151616246
Molecular FormulaC10H22O4Zr
Molecular Weight297.51 g/mol
Exact Mass296.06
IUPAC Name4,4,4-triethoxybutan-1-ol;zirconium
SMILESCCOC(CCCO)(OCC)OCC.[Zr]
InChIInChI=1S/C10H22O4.Zr/c1-4-12-10(13-5-2,14-6-3)8-7-9-11;/h11H,4-9H2,1-3H3;
InChIKeyGFSYHQPHFSNUQG-UHFFFAOYSA-N
XLogP1.52
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.51
LogP ≤ 51.52
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

4-(13,13,13-triethoxytridecylamino)butan-1-ol
CID 151260398
prop-2-enoic acid;4,4,4-triethoxybutan-1-ol
CID 159483376
4,4,4-triethoxybutoxymethanol
CID 175773565
ruthenium;1,1,1-triethoxydecane
CID 157324278
CID 156790678
CID 156790678
ethyl 5,5,5-triethoxypentanoate
CID 14860744
10,10,10-triethoxy-N-(10,10,10-triethoxydecyl)decan-1-amine
CID 150717186
3-chloro-1,1,1-triethoxypropane
CID 141390220
1,1,1-triethoxy-3-(3,3,3-triethoxypropylsulfanyl)propane
CID 172628738
4,4-dichlorohexan-1-ol
CID 163217202
8,8,8-triethoxyoctan-3-amine
CID 162686266
ethyl 6-hydroxy-2,2-dimethylhexanoate
CID 57424988

Frequently Asked Questions

What is the IUPAC name of 4,4,4-triethoxybutan-1-ol;zirconium?
The IUPAC name of 4,4,4-triethoxybutan-1-ol;zirconium (CID 151616246) is 4,4,4-triethoxybutan-1-ol;zirconium.
What is the SMILES notation for 4,4,4-triethoxybutan-1-ol;zirconium?
The canonical SMILES for 4,4,4-triethoxybutan-1-ol;zirconium is CCOC(CCCO)(OCC)OCC.[Zr].
What is the InChIKey of 4,4,4-triethoxybutan-1-ol;zirconium?
The InChIKey is GFSYHQPHFSNUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4.Zr/c1-4-12-10(13-5-2,14-6-3)8-7-9-11;/h11H,4-9H2,1-3H3;.
What are the key properties of 4,4,4-triethoxybutan-1-ol;zirconium?
4,4,4-triethoxybutan-1-ol;zirconium has a molecular weight of 297.51 g/mol, XLogP of 1.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-triethoxybutan-1-ol;zirconium is sourced from PubChem (CID 151616246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).