(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 |
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 |
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: | 36.3Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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