ethyl 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.4]nonane-8-carboxylate

C18H34O5Si — CID 90036628

IUPACethyl 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.4]nonane-8-carboxylate
SMILESCCOC(=O)C1(CCO[Si](C)(C)C(C)(C)C)CCC2(C1)OCCO2
InChIInChI=1S/C18H34O5Si/c1-7-20-15(19)17(8-9-18(14-17)21-12-13-22-18)10-11-23-24(5,6)16(2,3)4/h7-14H2,1-6H3
InChIKeyAEBDEBCWKSNDFK-UHFFFAOYSA-N
MW358.55 g/mol
LogP3.87
Rot. Bonds6

About ethyl 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.4]nonane-8-carboxylate

ethyl 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.4]nonane-8-carboxylate (PubChem CID 90036628) has the molecular formula C18H34O5Si and a molecular weight of 358.55 g/mol. Its IUPAC name is ethyl 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.4]nonane-8-carboxylate.

Molecular Properties

Compound Nameethyl 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.4]nonane-8-carboxylate
PubChem CID90036628
Molecular FormulaC18H34O5Si
Molecular Weight358.55 g/mol
Exact Mass358.22
IUPAC Nameethyl 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.4]nonane-8-carboxylate
SMILESCCOC(=O)C1(CCO[Si](C)(C)C(C)(C)C)CCC2(C1)OCCO2
InChIInChI=1S/C18H34O5Si/c1-7-20-15(19)17(8-9-18(14-17)21-12-13-22-18)10-11-23-24(5,6)16(2,3)4/h7-14H2,1-6H3
InChIKeyAEBDEBCWKSNDFK-UHFFFAOYSA-N
XLogP3.87
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.4]nonane-8-carboxylate 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 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.4]nonane-8-carboxylate?
The IUPAC name of ethyl 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.4]nonane-8-carboxylate (CID 90036628) is ethyl 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.4]nonane-8-carboxylate.
What is the SMILES notation for ethyl 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.4]nonane-8-carboxylate?
The canonical SMILES for ethyl 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.4]nonane-8-carboxylate is CCOC(=O)C1(CCO[Si](C)(C)C(C)(C)C)CCC2(C1)OCCO2.
What is the InChIKey of ethyl 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.4]nonane-8-carboxylate?
The InChIKey is AEBDEBCWKSNDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O5Si/c1-7-20-15(19)17(8-9-18(14-17)21-12-13-22-18)10-11-23-24(5,6)16(2,3)4/h7-14H2,1-6H3.
What are the key properties of ethyl 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.4]nonane-8-carboxylate?
ethyl 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.4]nonane-8-carboxylate has a molecular weight of 358.55 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.4]nonane-8-carboxylate is sourced from PubChem (CID 90036628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).