Basic information
- CAS
4641-85-4- Standard SMILES
C1#CCCCCC#CCCCC1- InChIKey
PFEAQLAFRLNENU-UHFFFAOYSA-N- Molecular formula
- C12H16
- Average molar mass
- 160.25 g/mol
- Monoisotopic mass
- 160.12520051
Names & identifiers
- Preferred name
- 1,7-Cyclododecadiyne
- IUPAC
- cyclododeca-1,7-diyne
- English name
- 1,7-Cyclododecadiyne
- Molecular formula
- C12H16
- Molecular weight
- 160.26
Names & synonyms
1,7-CYCLODODECADIYNE4641-85-4DTXSID40331385RefChem:221662DTXCID90282479Cyclododeca-1,7-diyneAKOS006271499
Database identifiers
- CAS
4641-85-4- PubChem CID
- 438397
- DTXSID
DTXSID40331385- Nikkaji
- J673.702A
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Melting point
- 36.7 · 36.7-37.3 °C(Solv: methanol (67-56-1))
- Boiling point
- 257.5 · 257.5±20.0 °C(Predicted)
- Density
- 0.91 · 0.91±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers4 total
Carbone Scientific CO., LTD[email protected]
CHEMSAMPCO[email protected]
SPEC-INF-BB[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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