dimethyl 3-triethoxysilylcyclohex-3-ene-1,1-dicarboxylate

C16H28O7Si — CID 86089165

IUPACdimethyl 3-triethoxysilylcyclohex-3-ene-1,1-dicarboxylate
SMILESCCO[Si](OCC)(OCC)C1=CCCC(C(=O)OC)(C(=O)OC)C1
InChIInChI=1S/C16H28O7Si/c1-6-21-24(22-7-2,23-8-3)13-10-9-11-16(12-13,14(17)19-4)15(18)20-5/h10H,6-9,11-12H2,1-5H3
InChIKeyQHQUHNUARNWROU-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.02
Rot. Bonds9

About dimethyl 3-triethoxysilylcyclohex-3-ene-1,1-dicarboxylate

dimethyl 3-triethoxysilylcyclohex-3-ene-1,1-dicarboxylate (PubChem CID 86089165) has the molecular formula C16H28O7Si and a molecular weight of 360.48 g/mol. Its IUPAC name is dimethyl 3-triethoxysilylcyclohex-3-ene-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-triethoxysilylcyclohex-3-ene-1,1-dicarboxylate
PubChem CID86089165
Molecular FormulaC16H28O7Si
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Namedimethyl 3-triethoxysilylcyclohex-3-ene-1,1-dicarboxylate
SMILESCCO[Si](OCC)(OCC)C1=CCCC(C(=O)OC)(C(=O)OC)C1
InChIInChI=1S/C16H28O7Si/c1-6-21-24(22-7-2,23-8-3)13-10-9-11-16(12-13,14(17)19-4)15(18)20-5/h10H,6-9,11-12H2,1-5H3
InChIKeyQHQUHNUARNWROU-UHFFFAOYSA-N
XLogP2.02
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze dimethyl 3-triethoxysilylcyclohex-3-ene-1,1-dicarboxylate 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 dimethyl 3-triethoxysilylcyclohex-3-ene-1,1-dicarboxylate?
The IUPAC name of dimethyl 3-triethoxysilylcyclohex-3-ene-1,1-dicarboxylate (CID 86089165) is dimethyl 3-triethoxysilylcyclohex-3-ene-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 3-triethoxysilylcyclohex-3-ene-1,1-dicarboxylate?
The canonical SMILES for dimethyl 3-triethoxysilylcyclohex-3-ene-1,1-dicarboxylate is CCO[Si](OCC)(OCC)C1=CCCC(C(=O)OC)(C(=O)OC)C1.
What is the InChIKey of dimethyl 3-triethoxysilylcyclohex-3-ene-1,1-dicarboxylate?
The InChIKey is QHQUHNUARNWROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O7Si/c1-6-21-24(22-7-2,23-8-3)13-10-9-11-16(12-13,14(17)19-4)15(18)20-5/h10H,6-9,11-12H2,1-5H3.
What are the key properties of dimethyl 3-triethoxysilylcyclohex-3-ene-1,1-dicarboxylate?
dimethyl 3-triethoxysilylcyclohex-3-ene-1,1-dicarboxylate has a molecular weight of 360.48 g/mol, XLogP of 2.02, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-triethoxysilylcyclohex-3-ene-1,1-dicarboxylate is sourced from PubChem (CID 86089165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).