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825636-95-1 | 2-Butanol, 1-[[(1R,2S)-2-(1,1-dimethylethyl)cyclohexyl]oxy]-, (2R)-
CAS No: 825636-95-1 Catalog No: AG0053M9 MDL No:
Product Description
Catalog Number:
AG0053M9
Chemical Name:
2-Butanol, 1-[[(1R,2S)-2-(1,1-dimethylethyl)cyclohexyl]oxy]-, (2R)-
CAS Number:
825636-95-1
Molecular Formula:
C14H28O2
Molecular Weight:
228.3709
IUPAC Name:
(2R)-1-[(1R,2S)-2-tert-butylcyclohexyl]oxybutan-2-ol
InChI:
InChI=1S/C14H28O2/c1-5-11(15)10-16-13-9-7-6-8-12(13)14(2,3)4/h11-13,15H,5-10H2,1-4H3/t11-,12-,13-/m1/s1
InChI Key:
GQBVHGLNSHPKPG-JHJVBQTASA-N
SMILES:
CC[C@H](CO[C@@H]1CCCC[C@H]1C(C)(C)C)O
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
228.209g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.376g/mol
Monoisotopic Mass:
228.209g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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