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828937-40-2 | Cyclohexane, 1,5-diethenyl-3-methyl-2-methylene-, (1R,3R,5S)-
CAS No: 828937-40-2 Catalog No: AG004RO4 MDL No:
Product Description
Catalog Number:
AG004RO4
Chemical Name:
Cyclohexane, 1,5-diethenyl-3-methyl-2-methylene-, (1R,3R,5S)-
CAS Number:
828937-40-2
Molecular Formula:
C12H18
Molecular Weight:
162.2713
IUPAC Name:
(1R,3R,5S)-1,5-bis(ethenyl)-3-methyl-2-methylidenecyclohexane
InChI:
InChI=1S/C12H18/c1-5-11-7-9(3)10(4)12(6-2)8-11/h5-6,9,11-12H,1-2,4,7-8H2,3H3/t9-,11+,12+/m1/s1
InChI Key:
ZXXPVGVXFJQSEU-USWWRNFRSA-N
SMILES:
C=C[C@H]1C[C@@H](C)C(=C)[C@H](C1)C=C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
162.141g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.276g/mol
Monoisotopic Mass:
162.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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