(4R)-Perillyl Phenyl Sulfoxide - CAS 1246812-26-9

Catalog:	BB056744
Product Name:	(4R)-Perillyl Phenyl Sulfoxide
CAS:	1246812-26-9
Synonyms:	[4-(1-Methylethenyl)-1-cyclohexen-1-yl] Phenyl Sulfoxide; [[(4R)-4-(1-Methylethenyl)-1-cyclohexen-1-yl]sulfinyl]benzene

Technical Data

Computed Properties

IUPAC Name:	(4-prop-1-en-2-ylcyclohexen-1-yl)methylsulfinylbenzene
Description:	Intermediate in the preparation of Perillaldehyde.
Molecular Weight:	246.37
Molecular Formula:	C15H18OS
Canonical SMILES:	CC(=C)C1CCC(=CC1)CS(=O)C2=CC=CC=C2
InChI:	InChI=1S/C16H20OS/c1-13(2)15-10-8-14(9-11-15)12-18(17)16-6-4-3-5-7-16/h3-8,15H,1,9-12H2,2H3
InChI Key:	AYZTYBIZTWAYTO-UHFFFAOYSA-N
Solubility:	Dichloromethane, Ethyl Acetate
Appearance:	Off-White Solid

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Complexity:	350
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	260.12348643
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	260.12348643
Rotatable Bond Count:	4
Topological Polar Surface Area:	36.3Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7