trichloro cyclohexyl silicate

C6H11Cl3O4Si — CID 174839833

IUPACtrichloro cyclohexyl silicate
SMILESClO[Si](OCl)(OCl)OC1CCCCC1
InChIInChI=1S/C6H11Cl3O4Si/c7-11-14(12-8,13-9)10-6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyYADGZZBUOIPDCR-UHFFFAOYSA-N
MW281.60 g/mol
LogP3.28
Rot. Bonds5

About trichloro cyclohexyl silicate

trichloro cyclohexyl silicate (PubChem CID 174839833) has the molecular formula C6H11Cl3O4Si and a molecular weight of 281.60 g/mol. Its IUPAC name is trichloro cyclohexyl silicate.

Molecular Properties

Compound Nametrichloro cyclohexyl silicate
PubChem CID174839833
Molecular FormulaC6H11Cl3O4Si
Molecular Weight281.60 g/mol
Exact Mass279.95
IUPAC Nametrichloro cyclohexyl silicate
SMILESClO[Si](OCl)(OCl)OC1CCCCC1
InChIInChI=1S/C6H11Cl3O4Si/c7-11-14(12-8,13-9)10-6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyYADGZZBUOIPDCR-UHFFFAOYSA-N
XLogP3.28
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.60
LogP ≤ 53.28
H-Bond Donors ≤ 50
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 trichloro cyclohexyl silicate?
The IUPAC name of trichloro cyclohexyl silicate (CID 174839833) is trichloro cyclohexyl silicate.
What is the SMILES notation for trichloro cyclohexyl silicate?
The canonical SMILES for trichloro cyclohexyl silicate is ClO[Si](OCl)(OCl)OC1CCCCC1.
What is the InChIKey of trichloro cyclohexyl silicate?
The InChIKey is YADGZZBUOIPDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl3O4Si/c7-11-14(12-8,13-9)10-6-4-2-1-3-5-6/h6H,1-5H2.
What are the key properties of trichloro cyclohexyl silicate?
trichloro cyclohexyl silicate has a molecular weight of 281.60 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro cyclohexyl silicate is sourced from PubChem (CID 174839833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).