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Home > Other Heterocycles > 289621-85-8
289621-85-8 | Bicyclo[7.2.0]undecan-5-one, 10,10-dimethyl-2-methylene-, (1S,9R)-
CAS No: 289621-85-8 Catalog No: AG002UZV MDL No:
Product Description
Catalog Number:
AG002UZV
Chemical Name:
Bicyclo[7.2.0]undecan-5-one, 10,10-dimethyl-2-methylene-, (1S,9R)-
CAS Number:
289621-85-8
Molecular Formula:
C14H22O
Molecular Weight:
206.3239
IUPAC Name:
(1S,9R)-10,10-dimethyl-2-methylidenebicyclo[7.2.0]undecan-5-one
InChI:
InChI=1S/C14H22O/c1-10-7-8-11(15)5-4-6-13-12(10)9-14(13,2)3/h12-13H,1,4-9H2,2-3H3/t12-,13-/m1/s1
InChI Key:
SVROROODYLVLSH-CHWSQXEVSA-N
SMILES:
O=C1CCC[C@@H]2[C@@H](C(=C)CC1)CC2(C)C
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
206.167g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.329g/mol
Monoisotopic Mass:
206.167g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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