2,5,8-Trimethyl-2-(4,8,12-trimethyltridecyl)chromen-6-ol
PubChem CID: 12132872
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| Topological Polar Surface Area | 29.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 513.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)chromen-6-ol |
| Nih Violation | True |
| Prediction Hob | 0.0 |
| Xlogp | 10.3 |
| Is Pains | False |
| Molecular Formula | C28H46O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UGGWLEJOHZBWFT-UHFFFAOYSA-N |
| Fcsp3 | 0.7142857142857143 |
| Rotatable Bond Count | 12.0 |
| Compound Name | 2,5,8-Trimethyl-2-(4,8,12-trimethyltridecyl)chromen-6-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 414.35 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 414.35 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 414.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.2433788 |
| Inchi | InChI=1S/C28H46O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h16,18-22,29H,8-15,17H2,1-7H3 |
| Smiles | CC1=CC(=C(C2=C1OC(C=C2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Stemona Tuberosa (Plant) Rel Props:Source_db:cmaup_ingredients