4,4,5,5-Tetramethyl-2-(spiro[2.5]oct-5-en-6-yl)-1,3,2-dioxaborolane - CAS 859219-46-8

Catalog:	BB076797
Product Name:	4,4,5,5-Tetramethyl-2-(spiro[2.5]oct-5-en-6-yl)-1,3,2-dioxaborolane
CAS:	859219-46-8
Synonyms:	4,4,5,5-tetramethyl-2-(spiro[2.5]oct-5-en-6-yl)-1,3,2-dioxaborolane; SPIRO[2.5]OCT-5-EN-6-YL BORONIC ACID PINACOL ESTER; 4,4,5,5-tetramethyl-2-spiro[2.5]oct-6-en-6-yl-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-{spiro[2.5]oct-5-en-6-yl}-1,3,2-dioxaborolane

Technical Data

IUPAC Name:	4,4,5,5-tetramethyl-2-spiro[2.5]oct-6-en-6-yl-1,3,2-dioxaborolane
Description:	4,4,5,5-Tetramethyl-2-(spiro[2.5]oct-5-en-6-yl)-1,3,2-dioxaborolane is used in the synthetic preparation of substituted thienylacetic acid as inhibitors of viral retroviral replication of HIV infection.
Molecular Weight:	234.14
Molecular Formula:	C14H23BO2
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CCC3(CC2)CC3
InChI:	InChI=1S/C14H23BO2/c1-12(2)13(3,4)17-15(16-12)11-5-7-14(8-6-11)9-10-14/h5H,6-10H2,1-4H3
InChI Key:	KPZIKZBFRLOIDN-UHFFFAOYSA-N
References:	Benarous, R., et al. PCT Int. Appl., 2014:542982 (2014).

Complexity:	350
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.1791101
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	234.1791101
Rotatable Bond Count:	1
Topological Polar Surface Area:	18.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0