Basic information
- CAS
40002-47-9- Standard SMILES
CCCC12CC3CC(C1)CC(CCC)(C3)C2- InChIKey
UHXVWOVRLUXCFE-UHFFFAOYSA-N- Molecular formula
- C16H28
- Average molar mass
- 220.39 g/mol
- Monoisotopic mass
- 220.21910089
Names & identifiers
- Preferred name
- 1,3-di-n-Propyladamantane
- IUPAC
- 1,3-dipropyladamantane
Names & synonyms
1,3-di-n-Propyladamantane1,3-Dipropyladamantane #SCHEMBL21002581UHXVWOVRLUXCFE-UHFFFAOYSA-NDTXSID40134547940002-47-91,3-Dipropyltricyclo[3.3.1.13,7]decane
Database identifiers
- CAS
40002-47-9- PubChem CID
- 600830
- DTXSID
DTXSID401345479- Nikkaji
- J1.504.894H
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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