Basic information
- CAS
128397-13-7- Standard SMILES
C=CC(C(O)C(C)(C)O)C(C)(C)O- InChIKey
VTGQDJVKAUERHE-UHFFFAOYSA-N- Molecular formula
- C10H20O3
- Average molar mass
- 188.26 g/mol
- Monoisotopic mass
- 188.1412445
Names & identifiers
- Preferred name
- 4-Ethenyl-2,5-dimethylhexane-2,3,5-triol
- IUPAC
- 4-ethenyl-2,5-dimethylhexane-2,3,5-triol
Names & synonyms
4-ethenyl-2,5-dimethylhexane-2,3,5-triolDTXSID501274461128397-13-74-Ethenyl-2,5-dimethyl-2,3,5-hexanetriol
Database identifiers
- CAS
128397-13-7- PubChem CID
- 14589058
- DTXSID
DTXSID501274461- Nikkaji
- J2.371.684D
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 185
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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