Basic information
- CAS
1781-84-6- Standard SMILES
O=C1CCCCC12CCC1(CCCCC1)CC2- InChIKey
SBWYEZVNSQSLAR-UHFFFAOYSA-N- Molecular formula
- C16H26O
- Average molar mass
- 234.38 g/mol
- Monoisotopic mass
- 234.19836545
Names & identifiers
- Preferred name
- Dispiro[5.2.5.2]hexadecan-1-one
- IUPAC
- dispiro[5.2.59.26]hexadecan-14-one
- English name
- Dispiro[5.2.5.2]hexadecan-1-one
- Molecular formula
- C16H26O
- Molecular weight
- 234.38
Names & synonyms
Dispiro[5.2.5.2]hexadecan-1-one1781-84-6Dispiro[5.2.5.2]hexadecane-1-oneDispiro(5.2.5.2)hexadecan-1-oneDispiro(5.2.5.2)hexadecane-1-oneRefChem:339175SBWYEZVNSQSLAR-UHFFFAOYSA-Ndispiro[5.2.59.26]hexadecan-14-oneDTXSID701305048Dispiro[5.2.5~9~.2~6~]hexadecan-1-one
Database identifiers
- CAS
1781-84-6- PubChem CID
- 616403
- DTXSID
DTXSID701305048- Nikkaji
- J145.008E
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Melting point
- 85 · 85-86 °C
- Boiling point
- 110 °C · 110 °C(Press: 0.2 Torr)
- Density
- 1 · 1.00±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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