Basic information
- CAS
111103-92-5- Standard SMILES
C=CC(O)C#CC#CCC(O)C(Cl)CCCCCCC- InChIKey
PBNFQEYKZLUTLH-UHFFFAOYSA-N- Molecular formula
- C17H25ClO2
- Average molar mass
- 296.8 g/mol
- Monoisotopic mass
- 296.1543077
Overview
10-Chloro-1-heptadecene-4,6-diyne-3,9-diol is an alcohol and an organochlorine compound.
Names & identifiers
- Preferred name
- Panaxydol chlorohydrin
- IUPAC
- 10-chloroheptadec-1-en-4,6-diyne-3,9-diol
- English name
- panaxydol chlorohydrin
- Molecular formula
- C17H25ClO2
- Molecular weight
- 296.83
Names & synonyms
Panaxydol chlorohydrin10-chloroheptadec-1-en-4,6-diyne-3,9-diol10-Chloro-3,9-dihydroxyheptadec-1-en-4,6-diyneRefChem:169830Panaxydol chlorohydrine111103-92-510-Chloro-1-Heptadecene-4,6-diyne-3,9-diol10-chloro-heptadeca-1-en-4,6-diyn-3,9-diolC17H25ClO2DTXSID10911991CHEBI:177738LMFA05000037
Show more names
1-Heptadecene-4,6-diyne-3,9-diol, 10-chloro-, (3R,9R,10R)-
10-Chloroheptadec-1-ene-4,6-diyne-3,9-diol1-Heptadecene-4,6-diyne-3,9-diol, 10-chloro-
Database identifiers
- CAS
111103-92-5- PubChem CID
- 130664
- DTXSID
DTXSID10911991- ChEBI
CHEBI:177738- Nikkaji
- J440.652D
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 390
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 442.7 · 442.7±45.0 °C(Predicted)
- Density
- 1.066 · 1.066±0.06 g/cm3(Predicted)
- pka
- 11.69 · 11.69±0.20(Predicted)
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Additional notes
DefinitionChEBI: 10-Chloro-1-heptadecene-4,6-diyne-3,9-diol is an organochlorine compound and an alcohol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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