bis(butan-2-ol);bis(triethyl(hydroxy)silane);zirconium

C20H52O4Si2Zr — CID 140942339

IUPACbis(butan-2-ol);bis(triethyl(hydroxy)silane);zirconium
SMILESCCC(C)O.CCC(C)O.CC[Si](O)(CC)CC.CC[Si](O)(CC)CC.[Zr]
InChIInChI=1S/2C6H16OSi.2C4H10O.Zr/c2*1-4-8(7,5-2)6-3;2*1-3-4(2)5;/h2*7H,4-6H2,1-3H3;2*4-5H,3H2,1-2H3;
InChIKeyUGXZGTLPNBCOPR-UHFFFAOYSA-N
MW504.03 g/mol
LogP5.52
Rot. Bonds8

About bis(butan-2-ol);bis(triethyl(hydroxy)silane);zirconium

bis(butan-2-ol);bis(triethyl(hydroxy)silane);zirconium (PubChem CID 140942339) has the molecular formula C20H52O4Si2Zr and a molecular weight of 504.03 g/mol. Its IUPAC name is bis(butan-2-ol);bis(triethyl(hydroxy)silane);zirconium.

Molecular Properties

Compound Namebis(butan-2-ol);bis(triethyl(hydroxy)silane);zirconium
PubChem CID140942339
Molecular FormulaC20H52O4Si2Zr
Molecular Weight504.03 g/mol
Exact Mass502.25
IUPAC Namebis(butan-2-ol);bis(triethyl(hydroxy)silane);zirconium
SMILESCCC(C)O.CCC(C)O.CC[Si](O)(CC)CC.CC[Si](O)(CC)CC.[Zr]
InChIInChI=1S/2C6H16OSi.2C4H10O.Zr/c2*1-4-8(7,5-2)6-3;2*1-3-4(2)5;/h2*7H,4-6H2,1-3H3;2*4-5H,3H2,1-2H3;
InChIKeyUGXZGTLPNBCOPR-UHFFFAOYSA-N
XLogP5.52
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.03
LogP ≤ 55.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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bis(butan-2-ol);bis(hydroxy(tripropyl)silane);titanium
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butan-2-ol;ethanol
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butan-2-ol;ethanol
CID 87396559
bis(butan-2-ol);carbanide;tantalum
CID 22416357
tetraaluminum;bis(butan-2-ol);trisilicate
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barium(2+);butan-2-ol;hydride;hydrate
CID 174746471

Frequently Asked Questions

What is the IUPAC name of bis(butan-2-ol);bis(triethyl(hydroxy)silane);zirconium?
The IUPAC name of bis(butan-2-ol);bis(triethyl(hydroxy)silane);zirconium (CID 140942339) is bis(butan-2-ol);bis(triethyl(hydroxy)silane);zirconium.
What is the SMILES notation for bis(butan-2-ol);bis(triethyl(hydroxy)silane);zirconium?
The canonical SMILES for bis(butan-2-ol);bis(triethyl(hydroxy)silane);zirconium is CCC(C)O.CCC(C)O.CC[Si](O)(CC)CC.CC[Si](O)(CC)CC.[Zr].
What is the InChIKey of bis(butan-2-ol);bis(triethyl(hydroxy)silane);zirconium?
The InChIKey is UGXZGTLPNBCOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H16OSi.2C4H10O.Zr/c2*1-4-8(7,5-2)6-3;2*1-3-4(2)5;/h2*7H,4-6H2,1-3H3;2*4-5H,3H2,1-2H3;.
What are the key properties of bis(butan-2-ol);bis(triethyl(hydroxy)silane);zirconium?
bis(butan-2-ol);bis(triethyl(hydroxy)silane);zirconium has a molecular weight of 504.03 g/mol, XLogP of 5.52, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(butan-2-ol);bis(triethyl(hydroxy)silane);zirconium is sourced from PubChem (CID 140942339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).