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69257-77-8 | (1r,5r)-5-tert-butyl-2-phenylcyclohex-2-en-1-ol
CAS No: 69257-77-8 Catalog No: AG005K8I MDL No:
Product Description
Catalog Number:
AG005K8I
Chemical Name:
(1r,5r)-5-tert-butyl-2-phenylcyclohex-2-en-1-ol
CAS Number:
69257-77-8
Molecular Formula:
C16H22O
Molecular Weight:
230.3453
IUPAC Name:
(1R,5R)-5-tert-butyl-2-phenylcyclohex-2-en-1-ol
InChI:
InChI=1S/C16H22O/c1-16(2,3)13-9-10-14(15(17)11-13)12-7-5-4-6-8-12/h4-8,10,13,15,17H,9,11H2,1-3H3/t13-,15-/m1/s1
InChI Key:
CVQFQMQNPZDLFL-UKRRQHHQSA-N
SMILES:
O[C@@H]1C[C@@H](CC=C1c1ccccc1)C(C)(C)C
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
230.167g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.351g/mol
Monoisotopic Mass:
230.167g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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