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Home > Other Heterocycles > 117019-46-2
117019-46-2 | Bicyclo[3.1.1]hept-2-ene, 2-ethyl-6,6-dimethyl-, (1S,5R)-
CAS No: 117019-46-2 Catalog No: AG000DKM MDL No:
Product Description
Catalog Number:
AG000DKM
Chemical Name:
Bicyclo[3.1.1]hept-2-ene, 2-ethyl-6,6-dimethyl-, (1S,5R)-
CAS Number:
117019-46-2
Molecular Formula:
C11H18
Molecular Weight:
150.2606
IUPAC Name:
2-ethyl-6,6-dimethylbicyclo[3.1.1]hept-2-ene
InChI:
InChI=1S/C11H18/c1-4-8-5-6-9-7-10(8)11(9,2)3/h5,9-10H,4,6-7H2,1-3H3
InChI Key:
ZWQAIGAZCBVYRW-UHFFFAOYSA-N
SMILES:
CCC1=CC[C@@H]2C[C@H]1C2(C)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.141g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.265g/mol
Monoisotopic Mass:
150.141g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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