2,6,10,14,19,23,27,31-Octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene
PubChem CID: 94171
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 118574-77-9, 2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene, CHEBI:26120, DTXSID601246293, I,I-Carotene, 7,7a(2),8,8a(2),11,12-hexahydro-, cis-, (6E,10E,12E,14E,16E,18E,22Z,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,2 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 40.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1010.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene |
| Prediction Hob | 0.0 |
| Class | Prenol lipids |
| Xlogp | 15.4 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Tetraterpenoids |
| Molecular Formula | C40H62 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OVSVTCFNLSGAMM-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -7.432 |
| Rotatable Bond Count | 19.0 |
| Logd | 6.991 |
| Compound Name | 2,6,10,14,19,23,27,31-Octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 542.485 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 542.485 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 542.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 8.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -11.654203200000003 |
| Inchi | InChI=1S/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3 |
| Smiles | CC(=CCCC(=CCCC(=CCCC(=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Carotenes |
- 1. Outgoing r'ship
FOUND_INto/from Erythrina Lithosperma (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Liriope Muscari (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Selaginella Sanguinolenta (Plant) Rel Props:Source_db:cmaup_ingredients