Home Other Building Blocks (5S)-7-tert-butyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol

(5S)-7-tert-butyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol

CAS No.:
1423040-68-9
Catalog Number:
AG01A2BF
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A2BF
Chemical Name:
(5S)-7-tert-butyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CAS Number:
1423040-68-9
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
MDL Number:
MFCD21295427
IUPAC Name:
(5S)-7-tert-butyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
InChI:
InChI=1S/C14H20O2/c1-14(2,3)10-6-7-13-11(9-10)12(15)5-4-8-16-13/h6-7,9,12,15H,4-5,8H2,1-3H3/t12-/m0/s1
InChI Key:
RNJGEBOJJBLVMS-LBPRGKRZSA-N
SMILES:
O[C@H]1CCCOc2c1cc(cc2)C(C)(C)C
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
220.146g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.312g/mol
Monoisotopic Mass:
220.146g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties