2-[3,5-di(ethylidene)cyclohexyl]ethyl-triethoxysilane

C18H34O3Si — CID 57020769

IUPAC2-[3,5-di(ethylidene)cyclohexyl]ethyl-triethoxysilane
SMILESCC=C1CC(=CC)CC(CC[Si](OCC)(OCC)OCC)C1
InChIInChI=1S/C18H34O3Si/c1-6-16-13-17(7-2)15-18(14-16)11-12-22(19-8-3,20-9-4)21-10-5/h6-7,18H,8-15H2,1-5H3
InChIKeyONHJSFAQNLYFPB-UHFFFAOYSA-N
MW326.55 g/mol
LogP5.12
Rot. Bonds9

About 2-[3,5-di(ethylidene)cyclohexyl]ethyl-triethoxysilane

2-[3,5-di(ethylidene)cyclohexyl]ethyl-triethoxysilane (PubChem CID 57020769) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is 2-[3,5-di(ethylidene)cyclohexyl]ethyl-triethoxysilane.

Molecular Properties

Compound Name2-[3,5-di(ethylidene)cyclohexyl]ethyl-triethoxysilane
PubChem CID57020769
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Name2-[3,5-di(ethylidene)cyclohexyl]ethyl-triethoxysilane
SMILESCC=C1CC(=CC)CC(CC[Si](OCC)(OCC)OCC)C1
InChIInChI=1S/C18H34O3Si/c1-6-16-13-17(7-2)15-18(14-16)11-12-22(19-8-3,20-9-4)21-10-5/h6-7,18H,8-15H2,1-5H3
InChIKeyONHJSFAQNLYFPB-UHFFFAOYSA-N
XLogP5.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.55
LogP ≤ 55.12
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-[3,5-di(ethylidene)cyclohexyl]ethyl-triethoxysilane?
The IUPAC name of 2-[3,5-di(ethylidene)cyclohexyl]ethyl-triethoxysilane (CID 57020769) is 2-[3,5-di(ethylidene)cyclohexyl]ethyl-triethoxysilane.
What is the SMILES notation for 2-[3,5-di(ethylidene)cyclohexyl]ethyl-triethoxysilane?
The canonical SMILES for 2-[3,5-di(ethylidene)cyclohexyl]ethyl-triethoxysilane is CC=C1CC(=CC)CC(CC[Si](OCC)(OCC)OCC)C1.
What is the InChIKey of 2-[3,5-di(ethylidene)cyclohexyl]ethyl-triethoxysilane?
The InChIKey is ONHJSFAQNLYFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-6-16-13-17(7-2)15-18(14-16)11-12-22(19-8-3,20-9-4)21-10-5/h6-7,18H,8-15H2,1-5H3.
What are the key properties of 2-[3,5-di(ethylidene)cyclohexyl]ethyl-triethoxysilane?
2-[3,5-di(ethylidene)cyclohexyl]ethyl-triethoxysilane has a molecular weight of 326.55 g/mol, XLogP of 5.12, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-di(ethylidene)cyclohexyl]ethyl-triethoxysilane is sourced from PubChem (CID 57020769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).