8-Octadecanone
Basic information
- CAS
79246-41-6- Standard SMILES
CCCCCCCCCCC(=O)CCCCCCC- InChIKey
IAIYDMODPGGWBM-UHFFFAOYSA-N- Molecular formula
- C18H36O
- Average molar mass
- 268.5 g/mol
- Monoisotopic mass
- 268.27661577
Names & identifiers
- Preferred name
- 8-Octadecanone
- IUPAC
- octadecan-8-one
- English name
- 8-OCTADECANONE
- Molecular formula
- C18H36O
- Molecular weight
- 268.48
Names & synonyms
8-Octadecanone79246-41-6DTXSID80337927RefChem:312253DTXCID40289014IAIYDMODPGGWBM-UHFFFAOYSA-Noctadecan-8-oneSCHEMBL632582DB-360056
Database identifiers
- CAS
79246-41-6- PubChem CID
- 545574
- DTXSID
DTXSID80337927- Nikkaji
- J3.753.247I
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 15
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Melting point
- 51.5 °C · 51.5°C (estimate)
- Boiling point
- 336.64 °C · 336.64°C (estimate)
- Density
- 0.8453 · 0.8453 (estimate)
- refractive index
- 1.4494 · 1.4494 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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