Basic information
- CAS
71394-73-5- Standard SMILES
COc1ccc(C=CC=CC=CC=CC=CC=CC=CC(=O)Oc2cc(CCCC(C)C)cc(OC)c2CCCCCCCCC(C)C)cc1- InChIKey
MEMAZGJOGGJEFC-UHFFFAOYSA-N- Molecular formula
- C46H62O4
- Average molar mass
- 679 g/mol
- Monoisotopic mass
- 678.46481045
Names & identifiers
- Preferred name
- 3-Methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl 15-(4-methoxyphenyl)pentadeca-2,4,6,8,10,12,14-heptaenoate
- IUPAC
- [3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl] 15-(4-methoxyphenyl)pentadeca-2,4,6,8,10,12,14-heptaenoate
- English name
- 3-Methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl (2E,4E,6E,8E,10E, 12E,14E)-15-(4-methoxyphenyl)-2,4,6,8,10,12,14-pentadecaheptaenoate
- Molecular formula
- C46H62O4
- Molecular weight
- 678.98
Names & synonyms
71394-73-5DTXSID603466183-Methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl 15-(4-methoxyphenyl)pentadeca-2,4,6,8,10,12,14-heptaenoate15-(4-Methoxyphenyl)-2,4,6,8,10,12,14-pentadecaheptaenoic acid 3-methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl ester3-Methoxy-2-(9-methyldecyl)-5-(4-methylpentyl)phenyl (2E,4E,6E,8E,10E, 12E,14E)-15-(4-methoxyphenyl)-2,4,6,8,10,12,14-pentadecaheptaenoate
Database identifiers
- CAS
71394-73-5- PubChem CID
- 613586
- DTXSID
DTXSID60346618
Properties
Computed structural properties
- XLogP
- 15.6
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 25
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,070
Physicochemical properties
- Boiling point
- 786.538 · 786.538±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.992 · 0.992±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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