Basic information
- CAS
61417-19-4- Standard SMILES
C(#CC12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2- InChIKey
DIFPLYVMVDULCR-UHFFFAOYSA-N- Molecular formula
- C22H30
- Average molar mass
- 294.5 g/mol
- Monoisotopic mass
- 294.23475096
Names & identifiers
- Preferred name
- 1,1'-(Ethyne-1,2-diyl)di(tricyclo[3.3.1.1~3,7~]decane)
- IUPAC
- 1-[2-(1-adamantyl)ethynyl]adamantane
- English name
- 1,1'-Ethynylenebisadamantane
- Molecular formula
- C22H30
- Molecular weight
- 294.47
Names & synonyms
61417-19-4NSC3600411,1'-EthynylenebisadamantaneSCHEMBL2746527DTXSID803204701,1'-(Ethyne-1,2-diyl)diadamantaneNSC-360041DB-3113331,1'-(Ethyne-1,2-diyl)di(tricyclo[3.3.1.1~3,7~]decane)Di(1-adamantyl)ethyne1,2-Bis(1-adamantyl)ethyneTricyclo[3.3.1.13,7]decane, 1,1'-(1,2-ethynediyl)bis-
Show more names
1,1'-Acetylene-1,2-diylbis[tricyclo[3.3.1.13,7]decane]
Database identifiers
- CAS
61417-19-4- PubChem CID
- 338285
- DTXSID
DTXSID80320470- Nikkaji
- J90.150D
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 437
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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