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Home > Other Heterocycles > 35836-73-8
35836-73-8 | 2-((1R,5S);-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl);ethanol
CAS No: 35836-73-8 Catalog No: AG003N0O MDL No:MFCD00075187
Product Description
Catalog Number:
AG003N0O
Chemical Name:
2-((1R,5S);-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl);ethanol
CAS Number:
35836-73-8
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
MDL Number:
MFCD00075187
IUPAC Name:
2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanol
InChI:
InChI=1S/C11H18O/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h3,9-10,12H,4-7H2,1-2H3/t9-,10-/m0/s1
InChI Key:
ROKSAUSPJGWCSM-UWVGGRQHSA-N
SMILES:
OCCC1=CC[C@H]2C[C@@H]1C2(C)C
UNII:
149HVE6X29
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
166.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.264g/mol
Monoisotopic Mass:
166.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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