[4-(cyclohepten-1-yl)cyclohept-4-en-1-yl]-triethoxysilane

C20H36O3Si — CID 54471176

IUPAC[4-(cyclohepten-1-yl)cyclohept-4-en-1-yl]-triethoxysilane
SMILESCCO[Si](OCC)(OCC)C1CCC=C(C2=CCCCCC2)CC1
InChIInChI=1S/C20H36O3Si/c1-4-21-24(22-5-2,23-6-3)20-15-11-14-19(16-17-20)18-12-9-7-8-10-13-18/h12,14,20H,4-11,13,15-17H2,1-3H3
InChIKeyXILWJQBUFOQXMU-UHFFFAOYSA-N
MW352.59 g/mol
LogP5.80
Rot. Bonds8

About [4-(cyclohepten-1-yl)cyclohept-4-en-1-yl]-triethoxysilane

[4-(cyclohepten-1-yl)cyclohept-4-en-1-yl]-triethoxysilane (PubChem CID 54471176) has the molecular formula C20H36O3Si and a molecular weight of 352.59 g/mol. Its IUPAC name is [4-(cyclohepten-1-yl)cyclohept-4-en-1-yl]-triethoxysilane.

Molecular Properties

Compound Name[4-(cyclohepten-1-yl)cyclohept-4-en-1-yl]-triethoxysilane
PubChem CID54471176
Molecular FormulaC20H36O3Si
Molecular Weight352.59 g/mol
Exact Mass352.24
IUPAC Name[4-(cyclohepten-1-yl)cyclohept-4-en-1-yl]-triethoxysilane
SMILESCCO[Si](OCC)(OCC)C1CCC=C(C2=CCCCCC2)CC1
InChIInChI=1S/C20H36O3Si/c1-4-21-24(22-5-2,23-6-3)20-15-11-14-19(16-17-20)18-12-9-7-8-10-13-18/h12,14,20H,4-11,13,15-17H2,1-3H3
InChIKeyXILWJQBUFOQXMU-UHFFFAOYSA-N
XLogP5.80
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.59
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-(cyclohepten-1-yl)cyclohept-4-en-1-yl]-triethoxysilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(cyclohepten-1-yl)cyclohept-4-en-1-yl]-triethoxysilane?
The IUPAC name of [4-(cyclohepten-1-yl)cyclohept-4-en-1-yl]-triethoxysilane (CID 54471176) is [4-(cyclohepten-1-yl)cyclohept-4-en-1-yl]-triethoxysilane.
What is the SMILES notation for [4-(cyclohepten-1-yl)cyclohept-4-en-1-yl]-triethoxysilane?
The canonical SMILES for [4-(cyclohepten-1-yl)cyclohept-4-en-1-yl]-triethoxysilane is CCO[Si](OCC)(OCC)C1CCC=C(C2=CCCCCC2)CC1.
What is the InChIKey of [4-(cyclohepten-1-yl)cyclohept-4-en-1-yl]-triethoxysilane?
The InChIKey is XILWJQBUFOQXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O3Si/c1-4-21-24(22-5-2,23-6-3)20-15-11-14-19(16-17-20)18-12-9-7-8-10-13-18/h12,14,20H,4-11,13,15-17H2,1-3H3.
What are the key properties of [4-(cyclohepten-1-yl)cyclohept-4-en-1-yl]-triethoxysilane?
[4-(cyclohepten-1-yl)cyclohept-4-en-1-yl]-triethoxysilane has a molecular weight of 352.59 g/mol, XLogP of 5.80, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohepten-1-yl)cyclohept-4-en-1-yl]-triethoxysilane is sourced from PubChem (CID 54471176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).