ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanoate

C17H32O3Si — CID 10380829

IUPACethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanoate
SMILESCCOC(=O)C(C)C1C=C(O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C17H32O3Si/c1-8-19-16(18)13(2)14-10-9-11-15(12-14)20-21(6,7)17(3,4)5/h12-14H,8-11H2,1-7H3
InChIKeyZBOFJTPRSKMJMU-UHFFFAOYSA-N
MW312.53 g/mol
LogP4.89
Rot. Bonds5

About ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanoate

ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanoate (PubChem CID 10380829) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanoate
PubChem CID10380829
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Nameethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanoate
SMILESCCOC(=O)C(C)C1C=C(O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C17H32O3Si/c1-8-19-16(18)13(2)14-10-9-11-15(12-14)20-21(6,7)17(3,4)5/h12-14H,8-11H2,1-7H3
InChIKeyZBOFJTPRSKMJMU-UHFFFAOYSA-N
XLogP4.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanoate 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-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanoate?
The IUPAC name of ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanoate (CID 10380829) is ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanoate.
What is the SMILES notation for ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanoate?
The canonical SMILES for ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanoate is CCOC(=O)C(C)C1C=C(O[Si](C)(C)C(C)(C)C)CCC1.
What is the InChIKey of ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanoate?
The InChIKey is ZBOFJTPRSKMJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-8-19-16(18)13(2)14-10-9-11-15(12-14)20-21(6,7)17(3,4)5/h12-14H,8-11H2,1-7H3.
What are the key properties of ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanoate?
ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanoate has a molecular weight of 312.53 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanoate is sourced from PubChem (CID 10380829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).