(4R)-1-Methyl-4-(1-propen-2-yl)-2-cyclohexenol - CAS 861892-40-2

Catalog:	BB037847
Product Name:	(4R)-1-Methyl-4-(1-propen-2-yl)-2-cyclohexenol
CAS:	861892-40-2
Synonyms:	(4R)-1-methyl-4-(1-methylethenyl)-1-cyclohex-2-enol; (4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol

Technical Data

Patents

Computed Properties

IUPAC Name:	(4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol
Description:	(4R)-1-Methyl-4-(1-propen-2-yl)-2-cyclohexenol (CAS# 861892-40-2) is a chemical reagent used in the synthesis of Δ8-THC cannabinoid analogs with activity against CB receptors.
Molecular Weight:	152.23
Molecular Formula:	C10H16O
Canonical SMILES:	CC(=C)C1CCC(C=C1)(C)O
InChI:	InChI=1S/C10H16O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,9,11H,1,5,7H2,2-3H3/t9-,10?/m0/s1
InChI Key:	MKPMHJQMNACGDI-RGURZIINSA-N
LogP:	2.27970

Publication Number	Title	Priority Date
WO-2021113669-A1	Cannabinoids and uses thereof	20191204
WO-2020233502-A1	Method for preparing cannabidiol compound	20190517
WO-2020031179-A1	Methods for synthesis of cannabinoid compounds	20180806
CA-3072958-A1	Synthesis of phytocannabinoids including a demethylation step	20170816
CA-3072961-A1	Synthesis of phytocannabinoids including a decarboxylation step	20170816

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Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	152.12011513
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	152.12011513
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4