7-Hexadecyn-1-ol
Basic information
- CAS
822-21-9- Standard SMILES
CCCCCCCCC#CCCCCCCO- InChIKey
UFLJPANUONDNPT-UHFFFAOYSA-N- Molecular formula
- C16H30O
- Average molar mass
- 238.41 g/mol
- Monoisotopic mass
- 238.22966558
Names & identifiers
- Preferred name
- 7-Hexadecyn-1-ol
- IUPAC
- hexadec-7-yn-1-ol
- English name
- 7-HEXADECYN-1-OL
- Molecular formula
- C16H30O
- Molecular weight
- 238.41
Names & synonyms
7-Hexadecyn-1-ol822-21-9DTXSID30338429RefChem:106111DTXCID40289514UFLJPANUONDNPT-UHFFFAOYSA-Nhexadec-7-yn-1-olSCHEMBL2802419SBB008792AKOS015839959DB-253624TIMTEC-BB SBB008792
Show more names
7-Hexadecyn-1-ol,98%7-HEXADECYN-1-OL, 97%,7-HEXADECYN-1-OL, 97%7-HEXADECYN-1-OL, 97%7-HEXADECYN-1-OL, 97%
Database identifiers
- CAS
822-21-9- PubChem CID
- 549047
- DTXSID
DTXSID30338429- Nikkaji
- J3.139.504F
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 11
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Boiling point
- 339.2 · 339.2±25.0 °C(Predicted)
- Density
- 0.871 · 0.871±0.06 g/cm3(Predicted)
- refractive index
- 1.464 · 1.4640
- pka
- 15.18 · 15.18±0.10(Predicted)
- CAS DataBase Reference
- 822 · 822-21-9(CAS DataBase Reference)
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
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
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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