Basic information
- CAS
959029-76-6- Standard SMILES
CCCCC(CC)COCC(C)C- InChIKey
HUYVQJLNHNGBMB-UHFFFAOYSA-N- Molecular formula
- C12H26O
- Average molar mass
- 186.33 g/mol
- Monoisotopic mass
- 186.19836545
Names & identifiers
- Preferred name
- 1-Isobutoxy-2-ethylhexane
- IUPAC
- 3-(2-methylpropoxymethyl)heptane
Names & synonyms
1-Isobutoxy-2-ethylhexane2-Ethylhexyl isobutyl ether #SCHEMBL12976455HUYVQJLNHNGBMB-UHFFFAOYSA-NDTXSID5013615533-[(2-Methylpropoxy)methyl]heptane959029-76-6
Database identifiers
- CAS
959029-76-6- PubChem CID
- 545495
- DTXSID
DTXSID501361553- Nikkaji
- J27.143H
Properties
Computed structural properties
- XLogP
- 4.9
- 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
- 99.3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…