Basic information
- CAS
114589-07-0- Standard SMILES
CCOCC(C)CCCC(C)CC- InChIKey
QOOBJVKSHYWVJH-UHFFFAOYSA-N- Molecular formula
- C12H26O
- Average molar mass
- 186.33 g/mol
- Monoisotopic mass
- 186.19836545
Names & identifiers
- Preferred name
- 1-Ethoxy-2,6-dimethyloctane
- IUPAC
- 1-ethoxy-2,6-dimethyloctane
Names & synonyms
114589-07-01-ETHOXY-2,6-DIMETHYLOCTANESCHEMBL10670030DTXSID40602986
Database identifiers
- CAS
114589-07-0- PubChem CID
- 20148745
- DTXSID
DTXSID40602986
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 101
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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