ethyl 5-trimethylsilyloxyspiro[2.5]oct-5-ene-8-carboxylate

C14H24O3Si — CID 67249603

IUPACethyl 5-trimethylsilyloxyspiro[2.5]oct-5-ene-8-carboxylate
SMILESCCOC(=O)C1CC=C(O[Si](C)(C)C)CC12CC2
InChIInChI=1S/C14H24O3Si/c1-5-16-13(15)12-7-6-11(17-18(2,3)4)10-14(12)8-9-14/h6,12H,5,7-10H2,1-4H3
InChIKeyNGMBBLAULRFSOQ-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.48
Rot. Bonds4

About ethyl 5-trimethylsilyloxyspiro[2.5]oct-5-ene-8-carboxylate

ethyl 5-trimethylsilyloxyspiro[2.5]oct-5-ene-8-carboxylate (PubChem CID 67249603) has the molecular formula C14H24O3Si and a molecular weight of 268.43 g/mol. Its IUPAC name is ethyl 5-trimethylsilyloxyspiro[2.5]oct-5-ene-8-carboxylate.

Molecular Properties

Compound Nameethyl 5-trimethylsilyloxyspiro[2.5]oct-5-ene-8-carboxylate
PubChem CID67249603
Molecular FormulaC14H24O3Si
Molecular Weight268.43 g/mol
Exact Mass268.15
IUPAC Nameethyl 5-trimethylsilyloxyspiro[2.5]oct-5-ene-8-carboxylate
SMILESCCOC(=O)C1CC=C(O[Si](C)(C)C)CC12CC2
InChIInChI=1S/C14H24O3Si/c1-5-16-13(15)12-7-6-11(17-18(2,3)4)10-14(12)8-9-14/h6,12H,5,7-10H2,1-4H3
InChIKeyNGMBBLAULRFSOQ-UHFFFAOYSA-N
XLogP3.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 5-trimethylsilyloxyspiro[2.5]oct-5-ene-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 5-trimethylsilyloxyspiro[2.5]oct-5-ene-8-carboxylate?
The IUPAC name of ethyl 5-trimethylsilyloxyspiro[2.5]oct-5-ene-8-carboxylate (CID 67249603) is ethyl 5-trimethylsilyloxyspiro[2.5]oct-5-ene-8-carboxylate.
What is the SMILES notation for ethyl 5-trimethylsilyloxyspiro[2.5]oct-5-ene-8-carboxylate?
The canonical SMILES for ethyl 5-trimethylsilyloxyspiro[2.5]oct-5-ene-8-carboxylate is CCOC(=O)C1CC=C(O[Si](C)(C)C)CC12CC2.
What is the InChIKey of ethyl 5-trimethylsilyloxyspiro[2.5]oct-5-ene-8-carboxylate?
The InChIKey is NGMBBLAULRFSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3Si/c1-5-16-13(15)12-7-6-11(17-18(2,3)4)10-14(12)8-9-14/h6,12H,5,7-10H2,1-4H3.
What are the key properties of ethyl 5-trimethylsilyloxyspiro[2.5]oct-5-ene-8-carboxylate?
ethyl 5-trimethylsilyloxyspiro[2.5]oct-5-ene-8-carboxylate has a molecular weight of 268.43 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-trimethylsilyloxyspiro[2.5]oct-5-ene-8-carboxylate is sourced from PubChem (CID 67249603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).