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20425-54-1 | 6-Octen-1-ol, 3,7-dimethyl-, 1-acetate, (3R)-
CAS No: 20425-54-1 Catalog No: AG0029DI MDL No:
Product Description
Catalog Number:
AG0029DI
Chemical Name:
6-Octen-1-ol, 3,7-dimethyl-, 1-acetate, (3R)-
CAS Number:
20425-54-1
Molecular Formula:
C12H22O2
Molecular Weight:
198.3019
IUPAC Name:
[(3R)-3,7-dimethyloct-6-enyl] acetate
InChI:
InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3/t11-/m1/s1
InChI Key:
JOZKFWLRHCDGJA-LLVKDONJSA-N
SMILES:
C[C@H](CCC=C(C)C)CCOC(=O)C
EC Number:
243-812-2
UNII:
9X45FJL446
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
198.162g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.306g/mol
Monoisotopic Mass:
198.162g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Enantioselective transacetylation of (R,S)-beta-citronellol by propanol rinsed immobilized Rhizomucor miehei lipase. | Chemistry Central journal 20070101 |
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