(1S,4As,7R,8Ar)-7-Ethynyl-1,4A-Dimethyl-4A,5,6,7,8,8A-Hexahydro-2(1H)-Naphthalenone

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Properties Simple | Detailed

Formula C14H18O
IUPAC Name (1s,4as,7r,8ar)-7-ethynyl-1,4a-dimethyl-1,5,6,7,8,8a-hexahydronaphthalen-2-one
Molecular Mass 202.292 g·mol−1
Heat of Formation 16.3 ± 16.7 kJ·mol−1
Dipole Moment 3.56 ± 1.08 D
Volume 211.06 Å 3
Surface Area 193.1 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4as,7r,8ar)-7-ethynyl-1,4a-dimethyl-1,5,6,7,8,8a-hexahydronaphthalen-2-one
  • 2(1h)-naphthalenone, 7-ethynyl-4a,5,6,7,8,8a-hexahydro-1,4a-dimethyl-, (1s-(1alpha,4abeta,7beta,8abeta))-
  • chamaecynone
CAS Number(s)
  • 10208-54-5
InChIKey WLJJVPSVSROSLC-SFTQSGBHSA-N
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