4-[(1R)-1,5-Dimethyl-4-hexen-1-yl]-2-cyclohexen-1-one - CAS 196193-23-4
Catalog: |
BB067017 |
Product Name: |
4-[(1R)-1,5-Dimethyl-4-hexen-1-yl]-2-cyclohexen-1-one |
CAS: |
196193-23-4 |
Synonyms: |
4-[(1R)-1,5-Dimethyl-4-hexenyl]-2-cyclohexen-1-one; [4(R)]-4-(1,5-Dimethyl-4-hexenyl)-2-cyclohexen-1-one |
IUPAC Name: | 4-[(2R)-6-methylhept-5-en-2-yl]cyclohex-2-en-1-one |
Description: | 4-[(1R)-1,5-Dimethyl-4-hexen-1-yl]-2-cyclohexen-1-one is an intermediate in the synthesis of Xanthorrhizol (X742050), a natural sesquiterpenoid from the rhizome of Curcuma xanthorrhiza that induces apoptosis and growth arrest in HCT116 human colon cancer cells. |
Molecular Weight: | 206.32 |
Molecular Formula: | C14H22O |
Canonical SMILES: | CC(CCC=C(C)C)C1CCC(=O)C=C1 |
InChI: | InChI=1S/C14H22O/c1-11(2)5-4-6-12(3)13-7-9-14(15)10-8-13/h5,7,9,12-13H,4,6,8,10H2,1-3H3/t12-,13?/m1/s1 |
InChI Key: | CIIUTVUZULBJKL-PZORYLMUSA-N |
Solubility: | DCM, Ethyl Acetate |
Appearance: | Orange Oil |
Complexity: | 269 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.167065321 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.167065321 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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