1-Benzylcyclopentyl [(2S)-1-Oxo-2-Hexanyl]Carbamate

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Properties Simple | Detailed

Formula C19H27NO3
IUPAC Name (1-benzylcyclopentyl) n-[(1s)-1-formylpentyl]carbamate
Molecular Mass 317.423 g·mol−1
Heat of Formation -580.1 ± 16.7 kJ·mol−1
Dipole Moment 1.13 ± 1.08 D
Volume 412.14 Å 3
Surface Area 346.05 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(phenylmethyl)cyclopentyl[(1s)-1-formylpentyl]carbamate
  • [1-(phenylmethyl)cyclopentyl] n-[(1s)-1-formylpentyl]carbamate
  • [1-(phenylmethyl)cyclopentyl] n-[(2s)-1-oxohexan-2-yl]carbamate
  • n-[(1s)-1-formylpentyl]carbamic acid [1-(benzyl)cyclopentyl] ester
  • n-[(1s)-1-formylpentyl]carbamic acid [1-(phenylmethyl)cyclopentyl] ester
InChIKey ONABDOMWRCXLPX-KRWDZBQOSA-N
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