Basic information
- Standard SMILES
CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C- InChIKey
YYGNTYWPHWGJRM-UHFFFAOYSA-N- Molecular formula
- C30H50
- Average molar mass
- 410.7 g/mol
- Monoisotopic mass
- 410.3912516
Overview
(E,E,E,E)-Squalene has been reported in Erythrophleum fordii, Sideritis candicans, and other organisms with data available.
Names & identifiers
- Preferred name
- 2,6,10,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-hexaene
- IUPAC
- 2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
Names & synonyms
2,6,10,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-hexaeneAddaVaxSuper Squalene; trans-Squalene;AddaVaxSqualene - from OliveSqualene - plant originSCHEMBL154042,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexeneorb1302594orb1744042orb2900527orb3025081SCHEMBL2229412
Show more names
CHEMBL3561564YYGNTYWPHWGJRM-UHFFFAOYSA-NAKOS025243731NCGC00181323-02FS182503NS00077271
Database identifiers
- CAS
7683-64-9- PubChem CID
- 1105
- DTXSID
DTXSID4064767- ChEMBL
CHEMBL3561564
Properties
Computed structural properties
- XLogP
- 11.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 15
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 578
Related reactions
0 records
No reaction records under the current filter.
Linked notes
Loading…