cyclohexyl(trimethoxy)silane

C18H40O6Si2 — CID 159078583

IUPACcyclohexyl(trimethoxy)silane
SMILESCO[Si](OC)(OC)C1CCCCC1.CO[Si](OC)(OC)C1CCCCC1
InChIInChI=1S/2C9H20O3Si/c2*1-10-13(11-2,12-3)9-7-5-4-6-8-9/h2*9H,4-8H2,1-3H3
InChIKeyKAOJEWACJAJVHH-UHFFFAOYSA-N
MW408.68 g/mol
LogP4.40
Rot. Bonds8

About cyclohexyl(trimethoxy)silane

cyclohexyl(trimethoxy)silane (PubChem CID 159078583) has the molecular formula C18H40O6Si2 and a molecular weight of 408.68 g/mol. Its IUPAC name is cyclohexyl(trimethoxy)silane.

Molecular Properties

Compound Namecyclohexyl(trimethoxy)silane
PubChem CID159078583
Molecular FormulaC18H40O6Si2
Molecular Weight408.68 g/mol
Exact Mass408.24
IUPAC Namecyclohexyl(trimethoxy)silane
SMILESCO[Si](OC)(OC)C1CCCCC1.CO[Si](OC)(OC)C1CCCCC1
InChIInChI=1S/2C9H20O3Si/c2*1-10-13(11-2,12-3)9-7-5-4-6-8-9/h2*9H,4-8H2,1-3H3
InChIKeyKAOJEWACJAJVHH-UHFFFAOYSA-N
XLogP4.40
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.68
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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(trimethoxy)silane?
The IUPAC name of cyclohexyl(trimethoxy)silane (CID 159078583) is cyclohexyl(trimethoxy)silane.
What is the SMILES notation for cyclohexyl(trimethoxy)silane?
The canonical SMILES for cyclohexyl(trimethoxy)silane is CO[Si](OC)(OC)C1CCCCC1.CO[Si](OC)(OC)C1CCCCC1.
What is the InChIKey of cyclohexyl(trimethoxy)silane?
The InChIKey is KAOJEWACJAJVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H20O3Si/c2*1-10-13(11-2,12-3)9-7-5-4-6-8-9/h2*9H,4-8H2,1-3H3.
What are the key properties of cyclohexyl(trimethoxy)silane?
cyclohexyl(trimethoxy)silane has a molecular weight of 408.68 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(trimethoxy)silane is sourced from PubChem (CID 159078583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).