Naphtho(1,8',8:c,d)cyclododeca-1,6-diyne
Basic information
- CAS
87842-94-2- Standard SMILES
C1#Cc2cccc3cccc(c23)C#CCCCCC1- InChIKey
KMTZDSUZEKFULR-UHFFFAOYSA-N- Molecular formula
- C19H16
- Average molar mass
- 244.3 g/mol
- Monoisotopic mass
- 244.12520051
Names & identifiers
- Preferred name
- Naphtho(1,8',8:c,d)cyclododeca-1,6-diyne
- IUPAC
- tricyclo[9.7.1.015,19]nonadeca-1(18),11,13,15(19),16-pentaen-2,9-diyne
Names & synonyms
Naphtho(1,8',8:c,d)cyclododeca-1,6-diyne87842-94-2Naphtho[1,8',8:c,d]cyclododeca-1,6-diyneDTXSID402366647,8,14,15-tetradehydro-10,11,12,13-tetrahydro-9H-cyclododeca[de]naphthalene
Database identifiers
- CAS
87842-94-2- PubChem CID
- 145140
- DTXSID
DTXSID40236664
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 392
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Related reactions
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Compound notes
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