cyclohexyl-(1-cyclohexylethoxy)-ethoxy-ethylsilane

C18H36O2Si — CID 175448536

IUPACcyclohexyl-(1-cyclohexylethoxy)-ethoxy-ethylsilane
SMILESCCO[Si](CC)(OC(C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H36O2Si/c1-4-19-21(5-2,18-14-10-7-11-15-18)20-16(3)17-12-8-6-9-13-17/h16-18H,4-15H2,1-3H3
InChIKeyLZKIKVBHOJIBJE-UHFFFAOYSA-N
MW312.57 g/mol
LogP5.80
Rot. Bonds7

About cyclohexyl-(1-cyclohexylethoxy)-ethoxy-ethylsilane

cyclohexyl-(1-cyclohexylethoxy)-ethoxy-ethylsilane (PubChem CID 175448536) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is cyclohexyl-(1-cyclohexylethoxy)-ethoxy-ethylsilane.

Molecular Properties

Compound Namecyclohexyl-(1-cyclohexylethoxy)-ethoxy-ethylsilane
PubChem CID175448536
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Namecyclohexyl-(1-cyclohexylethoxy)-ethoxy-ethylsilane
SMILESCCO[Si](CC)(OC(C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H36O2Si/c1-4-19-21(5-2,18-14-10-7-11-15-18)20-16(3)17-12-8-6-9-13-17/h16-18H,4-15H2,1-3H3
InChIKeyLZKIKVBHOJIBJE-UHFFFAOYSA-N
XLogP5.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(1-cyclohexylethoxy)-ethoxy-ethylsilane?
The IUPAC name of cyclohexyl-(1-cyclohexylethoxy)-ethoxy-ethylsilane (CID 175448536) is cyclohexyl-(1-cyclohexylethoxy)-ethoxy-ethylsilane.
What is the SMILES notation for cyclohexyl-(1-cyclohexylethoxy)-ethoxy-ethylsilane?
The canonical SMILES for cyclohexyl-(1-cyclohexylethoxy)-ethoxy-ethylsilane is CCO[Si](CC)(OC(C)C1CCCCC1)C1CCCCC1.
What is the InChIKey of cyclohexyl-(1-cyclohexylethoxy)-ethoxy-ethylsilane?
The InChIKey is LZKIKVBHOJIBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-4-19-21(5-2,18-14-10-7-11-15-18)20-16(3)17-12-8-6-9-13-17/h16-18H,4-15H2,1-3H3.
What are the key properties of cyclohexyl-(1-cyclohexylethoxy)-ethoxy-ethylsilane?
cyclohexyl-(1-cyclohexylethoxy)-ethoxy-ethylsilane has a molecular weight of 312.57 g/mol, XLogP of 5.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(1-cyclohexylethoxy)-ethoxy-ethylsilane is sourced from PubChem (CID 175448536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).