Basic information
- Standard SMILES
OCCC(O)CCO- InChIKey
LMMTVYUCEFJZLC-UHFFFAOYSA-N- Molecular formula
- C5H12O3
- Average molar mass
- 120.15 g/mol
Overview
1,3,5-pentanetriol is a triol that is pentane with the three hydroxy groups located at positions 1,3 and 5. It derives from a hydride of a pentane.
Names & identifiers
- Preferred name
- 1,3,5-Pentanetriol
- IUPAC
- pentane-1,3,5-triol
Names & synonyms
1,3,5-PentanetriolCHEBI:131187RefChem:934998pentane-1,3,5-triol4328-94-3MFCD151468361,3,5-trihydroxypentaneSCHEMBL77663orb3143807SCHEMBL3777158SCHEMBL6432707SCHEMBL6434759
Show more names
SCHEMBL7800191SCHEMBL9775702EAA32894TYD-03145SY284695DB-023815E86360F828913
Database identifiers
- PubChem CID
- 554363
- ChEBI
CHEBI:131187- Nikkaji
- J651.045K
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 40.9
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Related reactions
2 records
Compound notes
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