Basic information
- CAS
54844-70-1- Standard SMILES
CCCCCC#CCCCC(O)CCCCCCCCCC- InChIKey
HECWPVHRDCLCDV-UHFFFAOYSA-N- Molecular formula
- C21H40O
- Average molar mass
- 308.5 g/mol
- Monoisotopic mass
- 308.3079159
Names & identifiers
- Preferred name
- 6-Heneicosyn-11-ol
- IUPAC
- henicos-6-yn-11-ol
- English name
- 6-Henicosyn-11-ol
- Molecular formula
- C21H40O
- Molecular weight
- 308.54
Names & synonyms
6-Heneicosyn-11-ol54844-70-1DTXSID30886117RefChem:104669DTXCID001025459henicos-6-yn-11-ol6-Henicosyn-11-olHECWPVHRDCLCDV-UHFFFAOYSA-NDB-242805
Database identifiers
- CAS
54844-70-1- PubChem CID
- 108263
- DTXSID
DTXSID30886117- Nikkaji
- J429.268E
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 15
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Boiling point
- 410.2 · 410.2±28.0 °C(Predicted)
- Density
- 0.865 · 0.865±0.06 g/cm3(Predicted)
- pka
- 15.1 · 15.10±0.20(Predicted)
- EPA Substance Registry System
- 6 · 6-Heneicosyn-11-ol (54844-70-1)
- 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 Information6-Heneicosyn-11-ol: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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