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Salen Ligand I

CAT: 1596-AR-S09871-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-S09871-01Size:10 Units
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CAS Number
135616-40-9
Molecular Formula
C36H54N2O2
Molecular Weight
546.84
API Name
Salen-metal complex

Chemical Information

(R,R)-(-)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine
CAS Number135616-40-9
PubChem CID2733339
IUPAC Name2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
Molecular FormulaC36H54N2O2
Molecular Weight546.8
XLogP10
Topological Polar Surface Area65.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count40
Formal Charge0
Complexity793
SMILES
CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C=N[C@@H]2CCCC[C@H]2N=CC3=C(C(=CC(=C3)C(C)(C)C)C(C)(C)C)O
InChI
InChI=1S/C36H54N2O2/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12/h17-22,29-30,39-40H,13-16H2,1-12H3/t29-,30-/m1/s1
InChIKey
FYNXDGNCEBQLGC-LOYHVIPDSA-N
Chemical Structure
2D Structure
2D structure of (R,R)-(-)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine
CAS: 135616-40-9
CID: 2733339
Formula: C36H54N2O2
MW: 546.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight546.8
XLogP310
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass546.41852897
Monoisotopic Mass546.41852897
Topological Polar Surface Area65.2 Ų
Heavy Atom Count40
Formal Charge0
Complexity793
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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