3,4-Dimethyl-5-pentyl-2-furandecanoic acid
Basic information
- CAS
116627-36-2- Standard SMILES
CCCCCc1oc(CCCCCCCCCC(=O)O)c(C)c1C- InChIKey
SWOLPSUMESXJAB-UHFFFAOYSA-N- Molecular formula
- C21H36O3
- Average molar mass
- 336.5 g/mol
- Monoisotopic mass
- 336.26644501
Overview
10-(3,4-dimethyl-5-pentylfuran-2-yl)-decanoic acid is a heterocyclic fatty acid.
Names & identifiers
- Preferred name
- 3,4-Dimethyl-5-pentyl-2-furandecanoic acid
- IUPAC
- 10-(3,4-dimethyl-5-pentylfuran-2-yl)decanoic acid
Names & synonyms
3,4-Dimethyl-5-pentyl-2-furandecanoic acid10-(3,4-dimethyl-5-pentylfuran-2-yl)-decanoic acid10-(5-pentyl-3,4-dimethylfuran-2-yl)-decanoic acidCHEBI:186775DTXSID401264843LMFA0115002910D510-(3,4-dimethyl-5-pentyluran-2-yl)decanoic acid10D5; 3,4-dimethyl-5-pentyl-2-furandecanoic acid10-(3,4-Dimethyl-5-pentylfuran-2-yl)decanoic acid116627-36-2
Database identifiers
- CAS
116627-36-2、116627-45-3- PubChem CID
- 85564630
- DTXSID
DTXSID401264843- ChEBI
CHEBI:186775
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 329
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Heterocyclic fatty acids [FA0115]
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…