ethyl 2-(4-methylcyclohexylidene)-3-trimethylsilylpropanoate

C15H28O2Si — CID 11119110

IUPACethyl 2-(4-methylcyclohexylidene)-3-trimethylsilylpropanoate
SMILESCCOC(=O)C(C[Si](C)(C)C)=C1CCC(C)CC1
InChIInChI=1S/C15H28O2Si/c1-6-17-15(16)14(11-18(3,4)5)13-9-7-12(2)8-10-13/h12H,6-11H2,1-5H3/b14-13-
InChIKeyWEZGEOHOLUIFQL-YPKPFQOOSA-N
MW268.47 g/mol
LogP4.39
Rot. Bonds4

About ethyl 2-(4-methylcyclohexylidene)-3-trimethylsilylpropanoate

ethyl 2-(4-methylcyclohexylidene)-3-trimethylsilylpropanoate (PubChem CID 11119110) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is ethyl 2-(4-methylcyclohexylidene)-3-trimethylsilylpropanoate.

Molecular Properties

Compound Nameethyl 2-(4-methylcyclohexylidene)-3-trimethylsilylpropanoate
PubChem CID11119110
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Nameethyl 2-(4-methylcyclohexylidene)-3-trimethylsilylpropanoate
SMILESCCOC(=O)C(C[Si](C)(C)C)=C1CCC(C)CC1
InChIInChI=1S/C15H28O2Si/c1-6-17-15(16)14(11-18(3,4)5)13-9-7-12(2)8-10-13/h12H,6-11H2,1-5H3/b14-13-
InChIKeyWEZGEOHOLUIFQL-YPKPFQOOSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 2-(4-methylcyclohexylidene)-3-trimethylsilylpropanoate 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 2-(4-methylcyclohexylidene)-3-trimethylsilylpropanoate?
The IUPAC name of ethyl 2-(4-methylcyclohexylidene)-3-trimethylsilylpropanoate (CID 11119110) is ethyl 2-(4-methylcyclohexylidene)-3-trimethylsilylpropanoate.
What is the SMILES notation for ethyl 2-(4-methylcyclohexylidene)-3-trimethylsilylpropanoate?
The canonical SMILES for ethyl 2-(4-methylcyclohexylidene)-3-trimethylsilylpropanoate is CCOC(=O)C(C[Si](C)(C)C)=C1CCC(C)CC1.
What is the InChIKey of ethyl 2-(4-methylcyclohexylidene)-3-trimethylsilylpropanoate?
The InChIKey is WEZGEOHOLUIFQL-YPKPFQOOSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-6-17-15(16)14(11-18(3,4)5)13-9-7-12(2)8-10-13/h12H,6-11H2,1-5H3/b14-13-.
What are the key properties of ethyl 2-(4-methylcyclohexylidene)-3-trimethylsilylpropanoate?
ethyl 2-(4-methylcyclohexylidene)-3-trimethylsilylpropanoate has a molecular weight of 268.47 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylcyclohexylidene)-3-trimethylsilylpropanoate is sourced from PubChem (CID 11119110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).