cyclohexyl(hydroxy)silane;zirconium

C18H42O3Si3Zr — CID 172736042

IUPACcyclohexyl(hydroxy)silane;zirconium
SMILESO[SiH2]C1CCCCC1.O[SiH2]C1CCCCC1.O[SiH2]C1CCCCC1.[Zr]
InChIInChI=1S/3C6H14OSi.Zr/c3*7-8-6-4-2-1-3-5-6;/h3*6-7H,1-5,8H2;
InChIKeyWCIFEOSOUSJHBD-UHFFFAOYSA-N
MW482.01 g/mol
LogP2.44
Rot. Bonds3

About cyclohexyl(hydroxy)silane;zirconium

cyclohexyl(hydroxy)silane;zirconium (PubChem CID 172736042) has the molecular formula C18H42O3Si3Zr and a molecular weight of 482.01 g/mol. Its IUPAC name is cyclohexyl(hydroxy)silane;zirconium.

Molecular Properties

Compound Namecyclohexyl(hydroxy)silane;zirconium
PubChem CID172736042
Molecular FormulaC18H42O3Si3Zr
Molecular Weight482.01 g/mol
Exact Mass480.15
IUPAC Namecyclohexyl(hydroxy)silane;zirconium
SMILESO[SiH2]C1CCCCC1.O[SiH2]C1CCCCC1.O[SiH2]C1CCCCC1.[Zr]
InChIInChI=1S/3C6H14OSi.Zr/c3*7-8-6-4-2-1-3-5-6;/h3*6-7H,1-5,8H2;
InChIKeyWCIFEOSOUSJHBD-UHFFFAOYSA-N
XLogP2.44
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.01
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclohexylcyclohexane;dihydroxysilane
CID 173062511
tetrakis(cyclooctanol);zirconium
CID 142301923
N-cyclopentylsilylmethanamine
CID 174723886
cyclohexyl(trifluoromethyl)silane
CID 123764188
cyclohexyl(difluoromethyl)silane
CID 172806424
trans-(1S,2S)-cyclooctane-1,2-diol
CID 7273013
cycloundecane-1,2-diol
CID 67185134
cyclohexanol;cyclooctanol
CID 22461579
trans-(1S,2S)-cycloundecane-1,2-diamine
CID 139815756
CID 173331923
CID 173331923
CID 173331870
CID 173331870
cyclohexanol;iron
CID 146901686

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(hydroxy)silane;zirconium?
The IUPAC name of cyclohexyl(hydroxy)silane;zirconium (CID 172736042) is cyclohexyl(hydroxy)silane;zirconium.
What is the SMILES notation for cyclohexyl(hydroxy)silane;zirconium?
The canonical SMILES for cyclohexyl(hydroxy)silane;zirconium is O[SiH2]C1CCCCC1.O[SiH2]C1CCCCC1.O[SiH2]C1CCCCC1.[Zr].
What is the InChIKey of cyclohexyl(hydroxy)silane;zirconium?
The InChIKey is WCIFEOSOUSJHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H14OSi.Zr/c3*7-8-6-4-2-1-3-5-6;/h3*6-7H,1-5,8H2;.
What are the key properties of cyclohexyl(hydroxy)silane;zirconium?
cyclohexyl(hydroxy)silane;zirconium has a molecular weight of 482.01 g/mol, XLogP of 2.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(hydroxy)silane;zirconium is sourced from PubChem (CID 172736042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).