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Home > Other Heterocycles > 151825-19-3
151825-19-3 | 2-[(1R,2S,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]ethan-1-ol
CAS No: 151825-19-3 Catalog No: AG01DVI6 MDL No:MFCD31629391
Product Description
Catalog Number:
AG01DVI6
Chemical Name:
2-[(1R,2S,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]ethan-1-ol
CAS Number:
151825-19-3
Molecular Formula:
C11H20O
Molecular Weight:
168.2759
MDL Number:
MFCD31629391
IUPAC Name:
2-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]ethanol
InChI:
InChI=1S/C11H20O/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h8-10,12H,3-7H2,1-2H3/t8?,9-,10-/m0/s1
InChI Key:
RCRVMCSPZAMFKV-AGROOBSYSA-N
SMILES:
OCC[C@@H]1CC[C@@H]2C[C@H]1C2(C)C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
168.151g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.28g/mol
Monoisotopic Mass:
168.151g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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