1,1,5-Trimethyl-1,2-dihydronaphthalene
PubChem CID: 91722674
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1,1,5-trimethyl-1,2-dihydronaphthalene, CHEBI:87298, HUXNLKAQKLGSAF-UHFFFAOYSA-N, 1, 1, 5-Trimethyl-1, 2-dihydronaphthalene, Q27159503 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 212.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,1,5-trimethyl-2H-naphthalene |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Is Pains | False |
| Molecular Formula | C13H16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HUXNLKAQKLGSAF-UHFFFAOYSA-N |
| Fcsp3 | 0.3846153846153846 |
| Rotatable Bond Count | 0.0 |
| Compound Name | 1,1,5-Trimethyl-1,2-dihydronaphthalene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 172.125 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 172.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 172.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9271186615384615 |
| Inchi | InChI=1S/C13H16/c1-10-6-4-8-12-11(10)7-5-9-13(12,2)3/h4-8H,9H2,1-3H3 |
| Smiles | CC1=C2C=CCC(C2=CC=C1)(C)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients