o-(CH3)2-1.1.1 | SBID = 1171 | Compound | Custom Molecule

Struc Structure

Download Image

Molecular Properties

Interactions: 6
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 9.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C16H30O9
M / g/mol: 366.404
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: o-(CH3)2-1.1.1
  • Preferred Abbreviation:
  • IUPAC Name:
  • CAS: 2055963-16-9
  • CID: -370
  • InChiKey: FKUHCFSNCIRCSU-UHFFFAOYSA-N
  • InChi: InChI=1S/C16H30O9/c1-15-20-9-3-17-6-12-23-16(2,24-13-7-18-4-10-21-15)25-14-8-19-5-11-22-15/h3-14H2,1-2H3
  • CanoSmiles: CC12OCCOCCOC(OCCOCCO1)(OCCOCCO2)C
  • IsoSmiles: CC1(OCCOCCO2)OCCOCCOC2(C)OCCOCCO1