2-(2-cyclohex-3-en-1-ylethyl)-1,1,2-triethoxysilinane

C19H36O3Si — CID 174290806

IUPAC2-(2-cyclohex-3-en-1-ylethyl)-1,1,2-triethoxysilinane
SMILESCCOC1(CCC2CC=CCC2)CCCC[Si]1(OCC)OCC
InChIInChI=1S/C19H36O3Si/c1-4-20-19(16-14-18-12-8-7-9-13-18)15-10-11-17-23(19,21-5-2)22-6-3/h7-8,18H,4-6,9-17H2,1-3H3
InChIKeyCRMFNYLIFYXRKE-UHFFFAOYSA-N
MW340.58 g/mol
LogP5.14
Rot. Bonds9

About 2-(2-cyclohex-3-en-1-ylethyl)-1,1,2-triethoxysilinane

2-(2-cyclohex-3-en-1-ylethyl)-1,1,2-triethoxysilinane (PubChem CID 174290806) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is 2-(2-cyclohex-3-en-1-ylethyl)-1,1,2-triethoxysilinane.

Molecular Properties

Compound Name2-(2-cyclohex-3-en-1-ylethyl)-1,1,2-triethoxysilinane
PubChem CID174290806
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Name2-(2-cyclohex-3-en-1-ylethyl)-1,1,2-triethoxysilinane
SMILESCCOC1(CCC2CC=CCC2)CCCC[Si]1(OCC)OCC
InChIInChI=1S/C19H36O3Si/c1-4-20-19(16-14-18-12-8-7-9-13-18)15-10-11-17-23(19,21-5-2)22-6-3/h7-8,18H,4-6,9-17H2,1-3H3
InChIKeyCRMFNYLIFYXRKE-UHFFFAOYSA-N
XLogP5.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohex-3-en-1-ylethyl)-1,1,2-triethoxysilinane?
The IUPAC name of 2-(2-cyclohex-3-en-1-ylethyl)-1,1,2-triethoxysilinane (CID 174290806) is 2-(2-cyclohex-3-en-1-ylethyl)-1,1,2-triethoxysilinane.
What is the SMILES notation for 2-(2-cyclohex-3-en-1-ylethyl)-1,1,2-triethoxysilinane?
The canonical SMILES for 2-(2-cyclohex-3-en-1-ylethyl)-1,1,2-triethoxysilinane is CCOC1(CCC2CC=CCC2)CCCC[Si]1(OCC)OCC.
What is the InChIKey of 2-(2-cyclohex-3-en-1-ylethyl)-1,1,2-triethoxysilinane?
The InChIKey is CRMFNYLIFYXRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-4-20-19(16-14-18-12-8-7-9-13-18)15-10-11-17-23(19,21-5-2)22-6-3/h7-8,18H,4-6,9-17H2,1-3H3.
What are the key properties of 2-(2-cyclohex-3-en-1-ylethyl)-1,1,2-triethoxysilinane?
2-(2-cyclohex-3-en-1-ylethyl)-1,1,2-triethoxysilinane has a molecular weight of 340.58 g/mol, XLogP of 5.14, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohex-3-en-1-ylethyl)-1,1,2-triethoxysilinane is sourced from PubChem (CID 174290806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).