14-Nonacosyne
Basic information
- CAS
68516-35-8- Standard SMILES
CCCCCCCCCCCCCC#CCCCCCCCCCCCCCC- InChIKey
JYLPUGDQADDKAY-UHFFFAOYSA-N- Molecular formula
- C29H56
- Average molar mass
- 404.8 g/mol
- Monoisotopic mass
- 404.43820179
Names & identifiers
- Preferred name
- 14-Nonacosyne
- IUPAC
- nonacos-14-yne
- English name
- nonacos-14-yne
- Molecular formula
- C29H56
- Molecular weight
- 404.75
Names & synonyms
14-Nonacosyne68516-35-8EINECS 271-149-9DTXSID2071578RefChem:78683DTXCID2046044nonacos-14-yneSCHEMBL5984055JYLPUGDQADDKAY-UHFFFAOYSA-NNS00061744
Database identifiers
- CAS
68516-35-8- PubChem CID
- 110405
- DTXSID
DTXSID2071578- EC Number
- 271-149-9
- Nikkaji
- J332.466D
Properties
Computed structural properties
- XLogP
- 14.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 23
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 342
Physicochemical properties
- EPA Substance Registry System
- 14 · 14-Nonacosyne (68516-35-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information14-Nonacosyne: INACTIVE
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Related reactions
0 records
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Compound notes
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