4,5-Dimethyl-2-pentadecyl-1,3-dioxolane
PubChem CID: 568153
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| Compound Synonyms | 4,5-Dimethyl-2-pentadecyl-1,3-dioxolane, 56599-61-2, 1,3-Dioxolane, 4,5-dimethyl-2-pentadecyl-, CHEBI:87384, HVZOKBODEROMSL-UHFFFAOYSA-N, DTXSID901016760, DB-262725, 4,5-Dimethyl-2-pentadecyl-1,3-dioxolane #, Q27159578 |
|---|---|
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 232.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,5-dimethyl-2-pentadecyl-1,3-dioxolane |
| Nih Violation | True |
| Prediction Hob | 0.0 |
| Xlogp | 8.5 |
| Is Pains | False |
| Molecular Formula | C20H40O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HVZOKBODEROMSL-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 14.0 |
| Compound Name | 4,5-Dimethyl-2-pentadecyl-1,3-dioxolane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 312.303 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 312.303 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 312.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.1961356 |
| Inchi | InChI=1S/C20H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18(2)19(3)22-20/h18-20H,4-17H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCCCC1OC(C(O1)C)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients