1,5,7-Trimethyl-1,2,3,4-tetrahydronaphthalene
PubChem CID: 529436
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| Compound Synonyms | 1,5,7-Trimethyl-1,2,3,4-tetrahydronaphthalene, 21693-55-0, 1,2,3,4,Tetrahydro-1,5,7-trimethylnapthalene, Naphthalene, 1,2,3,4-tetrahydro-1,5,7-trimethyl-, 1,2,3,4-Tetrahydro-1,5,7-trimethylnaphthalene, CHEBI:89475, DTXSID20336171, VJFBUCVRMBYHAH-UHFFFAOYSA-N, 1,2,3,4-tetrahydro-1,5,7-trimethyl-naphthalene, Naphthaline, 1,2,3,4-tetrahydro, 1,5,7-trimethyl, Q27161670 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 173.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,5,7-trimethyl-1,2,3,4-tetrahydronaphthalene |
| Prediction Hob | 0.0 |
| Xlogp | 4.4 |
| Molecular Formula | C13H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VJFBUCVRMBYHAH-UHFFFAOYSA-N |
| Fcsp3 | 0.5384615384615384 |
| Logs | -5.351 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.11 |
| Compound Name | 1,5,7-Trimethyl-1,2,3,4-tetrahydronaphthalene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 174.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 174.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 174.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.008917861538462 |
| Inchi | InChI=1S/C13H18/c1-9-7-11(3)12-6-4-5-10(2)13(12)8-9/h7-8,10H,4-6H2,1-3H3 |
| Smiles | CC1CCCC2=C(C=C(C=C12)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acorus Tatarinowii (Plant) Rel Props:Source_db:cmaup_ingredients