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Home > Other Building Blocks > 13065-22-0
13065-22-0 | 2(1H)-Naphthalenone, octahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-, (1S,4aS,7R,8aS)-
CAS No: 13065-22-0 Catalog No: AG000UQT MDL No:
Product Description
Catalog Number:
AG000UQT
Chemical Name:
2(1H)-Naphthalenone, octahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-, (1S,4aS,7R,8aS)-
CAS Number:
13065-22-0
Molecular Formula:
C15H26O2
Molecular Weight:
238.3657
IUPAC Name:
7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one
InChI:
InChI=1S/C15H26O2/c1-10-12-9-11(14(2,3)17)5-7-15(12,4)8-6-13(10)16/h10-12,17H,5-9H2,1-4H3
InChI Key:
CUDHRTAOLMZZFB-UHFFFAOYSA-N
SMILES:
O=C1CC[C@]2([C@H]([C@@H]1C)C[C@@H](CC2)C(O)(C)C)C
NSC Number:
138631
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.193g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.371g/mol
Monoisotopic Mass:
238.193g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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