Basic information
- CAS
5388-47-6- Standard SMILES
OC1CCCCC(O)CC1- InChIKey
BIYRBPAUTLBNTB-UHFFFAOYSA-N- Molecular formula
- C8H16O2
- Average molar mass
- 144.21 g/mol
- Monoisotopic mass
- 144.11502975
Names & identifiers
- Preferred name
- Cyclooctane-1,4-diol
- IUPAC
- cyclooctane-1,4-diol
- English name
- cyclooctane-1,4-diol
- Molecular formula
- C8H16O2
- Molecular weight
- 144.21
Names & synonyms
Cyclooctane-1,4-diol5388-47-6EINECS 226-379-4DTXSID40968650RefChem:129803DTXCID10915237226-379-4SCHEMBL561527BIYRBPAUTLBNTB-UHFFFAOYSA-NNS000441861,4-Cyclooctanediol
Database identifiers
- CAS
5388-47-6- PubChem CID
- 110650
- DTXSID
DTXSID40968650- EC Number
- 226-379-4
- Nikkaji
- J217.937G
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 81.3
Physicochemical properties
- Melting point
- 58 · 58-59℃
- Boiling point
- 100 · 100-102 °C(Press: 0.5 Torr)
- Density
- 1.061 · 1.061±0.06 g/cm3(Predicted)
- pka
- 14.83 · 14.83±0.40(Predicted)
Chemistry & industry
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
海蔚化学86-21-51086038 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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