Basic information
- CAS
5460-40-2- Standard SMILES
CCCCOC(OCCCC)C(CC)CCCC- InChIKey
GXWYMXOQFFBFSY-UHFFFAOYSA-N- Molecular formula
- C16H34O2
- Average molar mass
- 258.44 g/mol
- Monoisotopic mass
- 258.25588032
Names & identifiers
- Preferred name
- 3-(Dibutoxymethyl)heptane
- IUPAC
- 3-(dibutoxymethyl)heptane
Names & synonyms
5460-40-23-(dibutoxymethyl)heptaneNSC21543SCHEMBL7530675DTXSID50281403NSC-21543
Database identifiers
- CAS
5460-40-2- PubChem CID
- 228551
- DTXSID
DTXSID50281403
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 149
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…