4,6-Decadiyn-1-ol
PubChem CID: 24740615
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| Compound Synonyms | 4,6-Decadiyn-1-ol, deca-4,6-diyn-1-ol, SCHEMBL15237263, CHEBI:171907, LMFA05000629 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Description | 4,6-decadiyn-1-ol is a member of the class of compounds known as fatty alcohols. Fatty alcohols are aliphatic alcohols consisting of a chain of a least six carbon atoms. Thus, 4,6-decadiyn-1-ol is considered to be a fatty alcohol lipid molecule. 4,6-decadiyn-1-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 4,6-decadiyn-1-ol can be found in fats and oils and herbs and spices, which makes 4,6-decadiyn-1-ol a potential biomarker for the consumption of these food products. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 202.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | deca-4,6-diyn-1-ol |
| Nih Violation | False |
| Class | Fatty Acyls |
| Xlogp | 2.4 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Fatty alcohols |
| Molecular Formula | C10H14O |
| Inchi Key | HVQWHMMQKIPWDD-UHFFFAOYSA-N |
| Rotatable Bond Count | 4.0 |
| Compound Name | 4,6-Decadiyn-1-ol |
| Kingdom | Organic compounds |
| Exact Mass | 150.104 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 150.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 150.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C10H14O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-3,8-10H2,1H3 |
| Smiles | CCCC#CC#CCCCO |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Fatty alcohols |
- 1. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Source_db:fooddb_chem_all