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825636-91-7 | 2-Butanol, 1-[(2,2,6,6-tetramethylcyclohexyl)oxy]-, (2S)-
CAS No: 825636-91-7 Catalog No: AG005DOB MDL No:
Product Description
Catalog Number:
AG005DOB
Chemical Name:
2-Butanol, 1-[(2,2,6,6-tetramethylcyclohexyl)oxy]-, (2S)-
CAS Number:
825636-91-7
Molecular Formula:
C14H28O2
Molecular Weight:
228.3709
IUPAC Name:
(2S)-1-(2,2,6,6-tetramethylcyclohexyl)oxybutan-2-ol
InChI:
InChI=1S/C14H28O2/c1-6-11(15)10-16-12-13(2,3)8-7-9-14(12,4)5/h11-12,15H,6-10H2,1-5H3/t11-/m0/s1
InChI Key:
HGNUYUYKOXNMOK-NSHDSACASA-N
SMILES:
CC[C@@H](COC1C(C)(C)CCCC1(C)C)O
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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