ethanol;bis(tricyclohexyl(hydroxy)silane);zirconium

C40H80O4Si2Zr — CID 140942607

IUPACethanol;bis(tricyclohexyl(hydroxy)silane);zirconium
SMILESCCO.CCO.O[Si](C1CCCCC1)(C1CCCCC1)C1CCCCC1.O[Si](C1CCCCC1)(C1CCCCC1)C1CCCCC1.[Zr]
InChIInChI=1S/2C18H34OSi.2C2H6O.Zr/c2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2-3;/h2*16-19H,1-15H2;2*3H,2H2,1H3;
InChIKeyWWHJTYJUPWMSAB-UHFFFAOYSA-N
MW772.47 g/mol
LogP11.85
Rot. Bonds6

About ethanol;bis(tricyclohexyl(hydroxy)silane);zirconium

ethanol;bis(tricyclohexyl(hydroxy)silane);zirconium (PubChem CID 140942607) has the molecular formula C40H80O4Si2Zr and a molecular weight of 772.47 g/mol. Its IUPAC name is ethanol;bis(tricyclohexyl(hydroxy)silane);zirconium.

Molecular Properties

Compound Nameethanol;bis(tricyclohexyl(hydroxy)silane);zirconium
PubChem CID140942607
Molecular FormulaC40H80O4Si2Zr
Molecular Weight772.47 g/mol
Exact Mass770.46
IUPAC Nameethanol;bis(tricyclohexyl(hydroxy)silane);zirconium
SMILESCCO.CCO.O[Si](C1CCCCC1)(C1CCCCC1)C1CCCCC1.O[Si](C1CCCCC1)(C1CCCCC1)C1CCCCC1.[Zr]
InChIInChI=1S/2C18H34OSi.2C2H6O.Zr/c2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2-3;/h2*16-19H,1-15H2;2*3H,2H2,1H3;
InChIKeyWWHJTYJUPWMSAB-UHFFFAOYSA-N
XLogP11.85
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.47
LogP ≤ 511.85
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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cycloheptyl-hydroxy-dipropoxysilane
CID 57088742
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CID 66841571
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CID 67980226
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cyclononyl-diethyl-propan-2-ylsilane
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Frequently Asked Questions

What is the IUPAC name of ethanol;bis(tricyclohexyl(hydroxy)silane);zirconium?
The IUPAC name of ethanol;bis(tricyclohexyl(hydroxy)silane);zirconium (CID 140942607) is ethanol;bis(tricyclohexyl(hydroxy)silane);zirconium.
What is the SMILES notation for ethanol;bis(tricyclohexyl(hydroxy)silane);zirconium?
The canonical SMILES for ethanol;bis(tricyclohexyl(hydroxy)silane);zirconium is CCO.CCO.O[Si](C1CCCCC1)(C1CCCCC1)C1CCCCC1.O[Si](C1CCCCC1)(C1CCCCC1)C1CCCCC1.[Zr].
What is the InChIKey of ethanol;bis(tricyclohexyl(hydroxy)silane);zirconium?
The InChIKey is WWHJTYJUPWMSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H34OSi.2C2H6O.Zr/c2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2-3;/h2*16-19H,1-15H2;2*3H,2H2,1H3;.
What are the key properties of ethanol;bis(tricyclohexyl(hydroxy)silane);zirconium?
ethanol;bis(tricyclohexyl(hydroxy)silane);zirconium has a molecular weight of 772.47 g/mol, XLogP of 11.85, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;bis(tricyclohexyl(hydroxy)silane);zirconium is sourced from PubChem (CID 140942607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).