cyclohexyl(triethoxy)silane

C12H26O3Si — CID 15653995

IUPACcyclohexyl(triethoxy)silane
SMILESCCO[Si](OCC)(OCC)C1CCCCC1
InChIInChI=1S/C12H26O3Si/c1-4-13-16(14-5-2,15-6-3)12-10-8-7-9-11-12/h12H,4-11H2,1-3H3
InChIKeyATGKAFZFOALBOF-UHFFFAOYSA-N
MW246.42 g/mol
LogP3.37
Rot. Bonds7

About cyclohexyl(triethoxy)silane

cyclohexyl(triethoxy)silane (PubChem CID 15653995) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is cyclohexyl(triethoxy)silane.

Molecular Properties

Compound Namecyclohexyl(triethoxy)silane
PubChem CID15653995
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Namecyclohexyl(triethoxy)silane
SMILESCCO[Si](OCC)(OCC)C1CCCCC1
InChIInChI=1S/C12H26O3Si/c1-4-13-16(14-5-2,15-6-3)12-10-8-7-9-11-12/h12H,4-11H2,1-3H3
InChIKeyATGKAFZFOALBOF-UHFFFAOYSA-N
XLogP3.37
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 cyclohexyl(triethoxy)silane?
The IUPAC name of cyclohexyl(triethoxy)silane (CID 15653995) is cyclohexyl(triethoxy)silane.
What is the SMILES notation for cyclohexyl(triethoxy)silane?
The canonical SMILES for cyclohexyl(triethoxy)silane is CCO[Si](OCC)(OCC)C1CCCCC1.
What is the InChIKey of cyclohexyl(triethoxy)silane?
The InChIKey is ATGKAFZFOALBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-4-13-16(14-5-2,15-6-3)12-10-8-7-9-11-12/h12H,4-11H2,1-3H3.
What are the key properties of cyclohexyl(triethoxy)silane?
cyclohexyl(triethoxy)silane has a molecular weight of 246.42 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(triethoxy)silane is sourced from PubChem (CID 15653995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).