Basic information
- CAS
19686-96-5- Standard SMILES
CC(O)CCCCC(C)O- InChIKey
PAXWQLGKYISPNH-UHFFFAOYSA-N- Molecular formula
- C8H18O2
- Average molar mass
- 146.23 g/mol
- Monoisotopic mass
- 146.13067981
Names & identifiers
- Preferred name
- Octane-2,7-diol
- IUPAC
- octane-2,7-diol
- English name
- Octane-2,7-diol
- Molecular formula
- C8H18O2
- Molecular weight
- 146.23
Names & synonyms
Octane-2,7-diolDTXSID9046956119686-96-5RefChem:366835DTXCID904203792,7-dihydroxyoctaneSCHEMBL622595SCHEMBL2155981SCHEMBL4309576SCHEMBL28563966PAXWQLGKYISPNH-UHFFFAOYSA-N2,7-Octanediol
Database identifiers
- CAS
19686-96-5- PubChem CID
- 11622353
- DTXSID
DTXSID90469561- Nikkaji
- J112.151K
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 63.7
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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