5,6-Decanediol
Basic information
- CAS
54884-84-3- Standard SMILES
CCCCC(O)C(O)CCCC- InChIKey
FUGIIBWTNARRSF-UHFFFAOYSA-N- Molecular formula
- C10H22O2
- Average molar mass
- 174.28 g/mol
- Monoisotopic mass
- 174.16197994
Names & identifiers
- Preferred name
- 5,6-Decanediol
- IUPAC
- decane-5,6-diol
- English name
- decane-5,6-diol
- Molecular formula
- C10H22O2
- Molecular weight
- 174.28
Names & synonyms
Decane-5,6-diol54884-84-3DTXSID809702175,6-DecanediolRefChem:1072174DTXCID801397753259-384-5meso-5,6-DecanediolEINECS 259-384-55,6-Decanediol #starbld0025511SCHEMBL600713
Show more names
orb1986162(5rs,6sr)-decane-5,6-diolAKOS040751499NS00059309T31335
Database identifiers
- CAS
54884-84-3- PubChem CID
- 549550
- DTXSID
DTXSID80970217- EC Number
- 259-384-5
- Nikkaji
- J326.699K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 81.8
Physicochemical properties
- Boiling point
- 257.9 · 257.9±8.0 °C(Predicted)
- Density
- 0.92 · 0.920±0.06 g/cm3(Predicted)
- pka
- 14.32 · 14.32±0.20(Predicted)
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Related reactions
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Compound notes
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