S-[(1S,2R)-2-Methylcyclobutyl] 5-Methylhexanethioate

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Properties Simple | Detailed

Formula C12H22OS
IUPAC Name s-[(1s,2r)-2-methylcyclobutyl] 5-methylhexanethioate
Molecular Mass 214.367 g·mol−1
Heat of Formation -298.3 ± 16.7 kJ·mol−1
Dipole Moment 1.18 ± 1.08 D
Volume 294.2 Å 3
Surface Area 279.04 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 2.69 ± eV
Point Group Symmetry C1
InChIKey UDLBLEKRORRTAU-MNOVXSKESA-N
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