ethyl [(2E)-2-(2-triethylsilyloxycyclohexylidene)ethyl] carbonate

C17H32O4Si — CID 11616870

IUPACethyl [(2E)-2-(2-triethylsilyloxycyclohexylidene)ethyl] carbonate
SMILESCCOC(=O)OC/C=C1\CCCCC1O[Si](CC)(CC)CC
InChIInChI=1S/C17H32O4Si/c1-5-19-17(18)20-14-13-15-11-9-10-12-16(15)21-22(6-2,7-3)8-4/h13,16H,5-12,14H2,1-4H3/b15-13+
InChIKeyLZZPWTXXUCRXDX-FYWRMAATSA-N
MW328.53 g/mol
LogP5.05
Rot. Bonds8

About ethyl [(2E)-2-(2-triethylsilyloxycyclohexylidene)ethyl] carbonate

ethyl [(2E)-2-(2-triethylsilyloxycyclohexylidene)ethyl] carbonate (PubChem CID 11616870) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is ethyl [(2E)-2-(2-triethylsilyloxycyclohexylidene)ethyl] carbonate.

Molecular Properties

Compound Nameethyl [(2E)-2-(2-triethylsilyloxycyclohexylidene)ethyl] carbonate
PubChem CID11616870
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Nameethyl [(2E)-2-(2-triethylsilyloxycyclohexylidene)ethyl] carbonate
SMILESCCOC(=O)OC/C=C1\CCCCC1O[Si](CC)(CC)CC
InChIInChI=1S/C17H32O4Si/c1-5-19-17(18)20-14-13-15-11-9-10-12-16(15)21-22(6-2,7-3)8-4/h13,16H,5-12,14H2,1-4H3/b15-13+
InChIKeyLZZPWTXXUCRXDX-FYWRMAATSA-N
XLogP5.05
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.53
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl [(2E)-2-(2-triethylsilyloxycyclohexylidene)ethyl] carbonate 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 ethyl [(2E)-2-(2-triethylsilyloxycyclohexylidene)ethyl] carbonate?
The IUPAC name of ethyl [(2E)-2-(2-triethylsilyloxycyclohexylidene)ethyl] carbonate (CID 11616870) is ethyl [(2E)-2-(2-triethylsilyloxycyclohexylidene)ethyl] carbonate.
What is the SMILES notation for ethyl [(2E)-2-(2-triethylsilyloxycyclohexylidene)ethyl] carbonate?
The canonical SMILES for ethyl [(2E)-2-(2-triethylsilyloxycyclohexylidene)ethyl] carbonate is CCOC(=O)OC/C=C1\CCCCC1O[Si](CC)(CC)CC.
What is the InChIKey of ethyl [(2E)-2-(2-triethylsilyloxycyclohexylidene)ethyl] carbonate?
The InChIKey is LZZPWTXXUCRXDX-FYWRMAATSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-5-19-17(18)20-14-13-15-11-9-10-12-16(15)21-22(6-2,7-3)8-4/h13,16H,5-12,14H2,1-4H3/b15-13+.
What are the key properties of ethyl [(2E)-2-(2-triethylsilyloxycyclohexylidene)ethyl] carbonate?
ethyl [(2E)-2-(2-triethylsilyloxycyclohexylidene)ethyl] carbonate has a molecular weight of 328.53 g/mol, XLogP of 5.05, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [(2E)-2-(2-triethylsilyloxycyclohexylidene)ethyl] carbonate is sourced from PubChem (CID 11616870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).