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24691-16-5 | Cyclohexanol, 3,3,5-trimethyl-, 1-acetate, (1R,5R)-rel-
CAS No: 24691-16-5 Catalog No: AG002P23 MDL No:MFCD00036661
Product Description
Catalog Number:
AG002P23
Chemical Name:
Cyclohexanol, 3,3,5-trimethyl-, 1-acetate, (1R,5R)-rel-
CAS Number:
24691-16-5
Molecular Formula:
C11H20O2
Molecular Weight:
184.2753
MDL Number:
MFCD00036661
IUPAC Name:
[(1S,5S)-3,3,5-trimethylcyclohexyl] acetate
InChI:
InChI=1S/C11H20O2/c1-8-5-10(13-9(2)12)7-11(3,4)6-8/h8,10H,5-7H2,1-4H3/t8-,10+/m1/s1
InChI Key:
OIVWFAFCHQDCCG-SCZZXKLOSA-N
SMILES:
C[C@H]1C[C@@H](OC(=O)C)CC(C1)(C)C
EC Number:
246-416-8
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
184.146g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.279g/mol
Monoisotopic Mass:
184.146g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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