phenol;tricyclohexyl(hydroxy)silane;zirconium

C36H52O4SiZr — CID 140942701

IUPACphenol;tricyclohexyl(hydroxy)silane;zirconium
SMILESO[Si](C1CCCCC1)(C1CCCCC1)C1CCCCC1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.[Zr]
InChIInChI=1S/C18H34OSi.3C6H6O.Zr/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*7-6-4-2-1-3-5-6;/h16-19H,1-15H2;3*1-5,7H;
InChIKeyPHINTOGHPPMAHL-UHFFFAOYSA-N
MW668.12 g/mol
LogP10.10
Rot. Bonds3

About phenol;tricyclohexyl(hydroxy)silane;zirconium

phenol;tricyclohexyl(hydroxy)silane;zirconium (PubChem CID 140942701) has the molecular formula C36H52O4SiZr and a molecular weight of 668.12 g/mol. Its IUPAC name is phenol;tricyclohexyl(hydroxy)silane;zirconium.

Molecular Properties

Compound Namephenol;tricyclohexyl(hydroxy)silane;zirconium
PubChem CID140942701
Molecular FormulaC36H52O4SiZr
Molecular Weight668.12 g/mol
Exact Mass666.27
IUPAC Namephenol;tricyclohexyl(hydroxy)silane;zirconium
SMILESO[Si](C1CCCCC1)(C1CCCCC1)C1CCCCC1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.[Zr]
InChIInChI=1S/C18H34OSi.3C6H6O.Zr/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*7-6-4-2-1-3-5-6;/h16-19H,1-15H2;3*1-5,7H;
InChIKeyPHINTOGHPPMAHL-UHFFFAOYSA-N
XLogP10.10
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.12
LogP ≤ 510.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenol;tricyclohexyl(hydroxy)silane;zirconium?
The IUPAC name of phenol;tricyclohexyl(hydroxy)silane;zirconium (CID 140942701) is phenol;tricyclohexyl(hydroxy)silane;zirconium.
What is the SMILES notation for phenol;tricyclohexyl(hydroxy)silane;zirconium?
The canonical SMILES for phenol;tricyclohexyl(hydroxy)silane;zirconium is O[Si](C1CCCCC1)(C1CCCCC1)C1CCCCC1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.[Zr].
What is the InChIKey of phenol;tricyclohexyl(hydroxy)silane;zirconium?
The InChIKey is PHINTOGHPPMAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34OSi.3C6H6O.Zr/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*7-6-4-2-1-3-5-6;/h16-19H,1-15H2;3*1-5,7H;.
What are the key properties of phenol;tricyclohexyl(hydroxy)silane;zirconium?
phenol;tricyclohexyl(hydroxy)silane;zirconium has a molecular weight of 668.12 g/mol, XLogP of 10.10, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;tricyclohexyl(hydroxy)silane;zirconium is sourced from PubChem (CID 140942701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).