HEZ
- Molecular formula
- C6 H14 O2
- Molecular weight (g/mol)
- 118.18
- Classification
- NATURAL_PRODUCT
Related PDB structures · 2
Names & identifiers
- IUPAC name
- HEXANE-1,6-DIOL
- SMILES
- C(CCCO)CCO
- Isomeric SMILES
- C(CCCO)CCO
- InChI
- InChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2
- InChIKey
- XXMIOPMDWAUFGU-UHFFFAOYSA-N
- CAS
- 629-11-8
Chemical & physical properties
- HBA
- 2
- HBD
- 2
- TPSA (Ų)
- 40.46
- cLogP
- 0.53
- Chiral atoms
- 0
- Molar refractivity
- 32.64
- Rings
- 0
- Aromatic rings
- 0
- Fraction Csp³
- 1.0
- Formal charge
- 0
Calculated properties
QED0.517
NPScore0.035579299
SAScore7.935584369