8-[(1R,2S)-2-(7-Methyloctyl)Cyclopropyl]Octanoic Acid

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Properties Simple | Detailed

Formula C20H38O2
IUPAC Name 8-[(1r,2s)-2-(7-methyloctyl)cyclopropyl]octanoic acid
Molecular Mass 310.515 g·mol−1
Heat of Formation -675.0 ± 16.7 kJ·mol−1
Dipole Moment 2.23 ± 1.08 D
Volume 459.67 Å 3
Surface Area 430.06 Å 2
HOMO Energy -10.42 ± 0.55 eV
LUMO Energy 0.95 ± eV
Point Group Symmetry C1
Synonyms
  • 17-methyl-9,10-methyleneoctadecanoic acid
  • 17-methyl-cis-9,10-methyleneoctadecanoic acid
  • 8-[(1r,2s)-2-(7-methyloctyl)cyclopropyl]caprylic acid
  • cyclopropaneoctanoic acid, 2-(7-methyloctyl)-, cis-
  • mmoda
CAS Number(s)
  • 87590-99-6
InChIKey OTPRKBAXVUXMAB-MOPGFXCFSA-N
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Elements H C O