ethyl 2-[1-[tert-butyl(dimethyl)silyl]oxycycloheptyl]acetate

C17H34O3Si — CID 132528315

IUPACethyl 2-[1-[tert-butyl(dimethyl)silyl]oxycycloheptyl]acetate
SMILESCCOC(=O)CC1(O[Si](C)(C)C(C)(C)C)CCCCCC1
InChIInChI=1S/C17H34O3Si/c1-7-19-15(18)14-17(12-10-8-9-11-13-17)20-21(5,6)16(2,3)4/h7-14H2,1-6H3
InChIKeyOUBVJPJNSFDLMG-UHFFFAOYSA-N
MW314.54 g/mol
LogP5.05
Rot. Bonds5

About ethyl 2-[1-[tert-butyl(dimethyl)silyl]oxycycloheptyl]acetate

ethyl 2-[1-[tert-butyl(dimethyl)silyl]oxycycloheptyl]acetate (PubChem CID 132528315) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is ethyl 2-[1-[tert-butyl(dimethyl)silyl]oxycycloheptyl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[tert-butyl(dimethyl)silyl]oxycycloheptyl]acetate
PubChem CID132528315
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Nameethyl 2-[1-[tert-butyl(dimethyl)silyl]oxycycloheptyl]acetate
SMILESCCOC(=O)CC1(O[Si](C)(C)C(C)(C)C)CCCCCC1
InChIInChI=1S/C17H34O3Si/c1-7-19-15(18)14-17(12-10-8-9-11-13-17)20-21(5,6)16(2,3)4/h7-14H2,1-6H3
InChIKeyOUBVJPJNSFDLMG-UHFFFAOYSA-N
XLogP5.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.54
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-[1-[tert-butyl(dimethyl)silyl]oxycycloheptyl]acetate 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-[1-[tert-butyl(dimethyl)silyl]oxycycloheptyl]acetate?
The IUPAC name of ethyl 2-[1-[tert-butyl(dimethyl)silyl]oxycycloheptyl]acetate (CID 132528315) is ethyl 2-[1-[tert-butyl(dimethyl)silyl]oxycycloheptyl]acetate.
What is the SMILES notation for ethyl 2-[1-[tert-butyl(dimethyl)silyl]oxycycloheptyl]acetate?
The canonical SMILES for ethyl 2-[1-[tert-butyl(dimethyl)silyl]oxycycloheptyl]acetate is CCOC(=O)CC1(O[Si](C)(C)C(C)(C)C)CCCCCC1.
What is the InChIKey of ethyl 2-[1-[tert-butyl(dimethyl)silyl]oxycycloheptyl]acetate?
The InChIKey is OUBVJPJNSFDLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-7-19-15(18)14-17(12-10-8-9-11-13-17)20-21(5,6)16(2,3)4/h7-14H2,1-6H3.
What are the key properties of ethyl 2-[1-[tert-butyl(dimethyl)silyl]oxycycloheptyl]acetate?
ethyl 2-[1-[tert-butyl(dimethyl)silyl]oxycycloheptyl]acetate has a molecular weight of 314.54 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[tert-butyl(dimethyl)silyl]oxycycloheptyl]acetate is sourced from PubChem (CID 132528315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).