8-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dioxaspiro(4.5)dec-7-ene
Product Specifications
- CAS
- 680596-79-6
- MF
- C14H23BO4
- Appearance
- white solid
- Synonym(s)
- 1,4-Dioxaspiro[4,5]dec-7-en-8-boronic acid pinacol ester；8-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dioxaspiro[4.5]dec-7-ene；2-{1,4-dioxaspiro[4.5]dec-7-en-8-yl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane；4,4,5,5-Tetramethyl-2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane; 1,4-Dioxaspiro[4.5]dec-7-ene, 8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-；2-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 3-hydroxy-2,3-diMethylbutan-2-yl hydrogen 1,4-dioxaspiro[4.5]dec-7-en-8-ylboronate
- Shipping
- ambient temperature
- Storage
- 2-8°C
8-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dioxaspiro(4.5)dec-7-ene is PubChem’s title for CAS 680596-79-6. PubChem returns one result, CID 3697076, with molecular formula C14H23BO4. Its verified connectivity is SMILES B1(OC(C(O1)(C)C)(C)C)C2=CCC3(CC2)OCCO3. The matching InChI is InChI=1S/C14H23BO4/c1-12(2)13(3,4)19-15(18-12)11-5-7-14(8-6-11)16-9-10-17-14/h5H,6-10H2,1-4H3, with InChIKey JCHWHOHZZYWUMP-UHFFFAOYSA-N.
The title describes a spiro framework in which two rings share one carbon atom. Oxygen atoms at positions 1 and 4 belong to the dioxaspiro portion, while the double bond is located at position 7. A 4,4,5,5-tetramethyl-1,3,2-dioxaborolane group is bonded at position 8 and supplies the single boron atom in C14H23BO4. The SMILES shows four methyl branches around that boron-containing ring and no dot-separated second component or encoded stereochemical descriptor.
A comparison request should carry CAS 680596-79-6 plus either the full systematic name or the complete structure notation. PubChem CID 3697076 and InChIKey JCHWHOHZZYWUMP-UHFFFAOYSA-N preserve the spiro-ring size, alkene position, and boron-containing substituent in machine-readable form. The four oxygen atoms are distributed between the spiro acetal ring and the dioxaborolane portion, a distinction visible in the complete connectivity rather than a shortened label. Rlavie can align a supplied MOL or SDF file with those fields without inferring a shorter identity from partial wording. The record is limited to the exact molecular graph confirmed by the CAS-to-CID result.