P6G
- Molecular formula
- C12 H26 O7
- Molecular weight (g/mol)
- 282.33
- Classification
- NATURAL_PRODUCT
Related PDB structures · 2
Names & identifiers
- IUPAC name
- HEXAETHYLENE GLYCOL
- SMILES
- C(COCCOCCOCCOCCOCCO)O
- Isomeric SMILES
- C(COCCOCCOCCOCCOCCO)O
- InChI
- InChI=1S/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2
- InChIKey
- IIRDTKBZINWQAW-UHFFFAOYSA-N
- CAS
- 2615-15-8
Chemical & physical properties
- HBA
- 7
- HBD
- 2
- TPSA (Ų)
- 86.61
- cLogP
- -0.95
- Chiral atoms
- 0
- Molar refractivity
- 68.27
- Rings
- 0
- Aromatic rings
- 0
- Fraction Csp³
- 1.0
- Formal charge
- 0
Calculated properties
QED0.353
NPScore0.00583123
SAScore7.842317942