4-(Hydroxymethyl)-3-(1-Hydroxy-5-Methylhexyl)Dihydro-2(3H)-Furanone

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Properties Simple | Detailed

Formula C12H22O4
IUPAC Name (3r,4r)-4-(hydroxymethyl)-3-[(1r)-1-hydroxy-5-methyl-hexyl]tetrahydrofuran-2-one
Molecular Mass 230.301 g·mol−1
Heat of Formation -882.2 ± 16.7 kJ·mol−1
Dipole Moment 4.61 ± 1.08 D
Volume 299.23 Å 3
Surface Area 273.13 Å 2
HOMO Energy -10.67 ± 0.55 eV
LUMO Energy 0.95 ± eV
Point Group Symmetry C1
InChIKey MZARLLPKPUWXEX-GMTAPVOTSA-N
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Elements H C O