(s)-(-)-citronellic acid | SBID = 1045 | Compound | Pubchem logo

Struc Structure

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Molecular Properties

Interactions: 4
PubChem TPSA/Å2: 37.3
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 3.0
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 1.0
Number of H-Bond Acceptors: 2.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 1.0
3D Volume/Å3: 147.6
Sum Formula: C10H18O2
M / g/mol: 170.25
Complexity: 167.0
Number of Conformers: 10.0

Identifiers

  • Tags: terpen, typical guest
  • Name: (s)-(-)-citronellic acid
  • Preferred Abbreviation: (s)-(-)-citronellic acid
  • IUPAC Name: (3S)-3,7-dimethyloct-6-enoic acid
  • CAS: 2111-53-7
  • CID: 6999955
  • InChiKey: GJWSUKYXUMVMGX-VIFPVBQESA-N
  • InChi: InChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12)/t9-/m0/s1
  • CanoSmiles: CC(CCC=C(C)C)CC(=O)O
  • IsoSmiles: C[C@@H](CCC=C(C)C)CC(=O)O