26-Methyl-5,9-octacosadienoic acid
Basic information
- CAS
153081-64-2- Standard SMILES
CCC(C)CCCCCCCCCCCCCCC/C=C\CC/C=C\CCCC(=O)O- InChIKey
KTQWPVBHBHYYOY-ZPIUPWHUSA-N- Molecular formula
- C29H54O2
- Average molar mass
- 434.7 g/mol
- Monoisotopic mass
- 434.41238096
Overview
structure given in first source; a phospholipid constituent in the marine sponges Chondrosia remiformis and Myrmekioderma styx
Names & identifiers
- Preferred name
- 26-Methyl-5,9-octacosadienoic acid
- IUPAC
- (5Z,9Z)-26-methyloctacosa-5,9-dienoic acid
- English name
- 26-methyl-5,9-octacosadienoic acid
- Molecular formula
- C29H54O2
- Molecular weight
- 434.74
Names & synonyms
26-Methyl-5,9-octacosadienoic acid153081-64-2RefChem:89953(5Z,9Z)-26-methyloctacosa-5,9-dienoic acid5,9-Octacosadienoic acid, 26-methyl-, (5Z,9Z)-
Database identifiers
- CAS
153081-64-2- PubChem CID
- 6443705
Properties
Computed structural properties
- XLogP
- 12
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 24
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 424
Physicochemical properties
- Boiling point
- 520.74 · 520.740±19.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.888 · 0.888±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.76 · 4.760±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…