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129444-92-4 | Acetic acid, oxo-, (1S,2R,5S)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl ester (9CI)
CAS No: 129444-92-4 Catalog No: AG000Z53 MDL No:
Product Description
Catalog Number:
AG000Z53
Chemical Name:
Acetic acid, oxo-, (1S,2R,5S)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl ester (9CI)
CAS Number:
129444-92-4
Molecular Formula:
C18H24O3
Molecular Weight:
288.3814
IUPAC Name:
[5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-oxoacetate
InChI:
InChI=1S/C18H24O3/c1-13-9-10-15(16(11-13)21-17(20)12-19)18(2,3)14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3
InChI Key:
FHPVPXAVFQDAGV-UHFFFAOYSA-N
SMILES:
O=CC(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(c1ccccc1)(C)C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.173g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.387g/mol
Monoisotopic Mass:
288.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Literature
| Title | Journal |
|---|---|
| Highly diastereoselective Friedel-Crafts reaction of furans with 8-phenylmenthyl glyoxylate. | Organic letters 20061026 |
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