Decane, 2,5,6-trimethyl-
PubChem CID: 112466
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| Compound Synonyms | 2,5,6-Trimethyldecane, Decane, 2,5,6-trimethyl-, 62108-23-0, DTXSID50866911, Trimethyldecane, 2,5,6-, starbld0045400, 2,5,6-Trimethyldecane #, DTXCID90815140, DECANE, 2,5,6-TRIMETHY L, AKOS040751493, NS00096061 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 105.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,5,6-trimethyldecane |
| Prediction Hob | 1.0 |
| Xlogp | 6.4 |
| Molecular Formula | C13H28 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HBEWRUSPWIMDCH-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -6.445 |
| Rotatable Bond Count | 7.0 |
| Logd | 5.743 |
| Compound Name | Decane, 2,5,6-trimethyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 184.219 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.219 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 184.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.5467754 |
| Inchi | InChI=1S/C13H28/c1-6-7-8-12(4)13(5)10-9-11(2)3/h11-13H,6-10H2,1-5H3 |
| Smiles | CCCCC(C)C(C)CCC(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Kaempferia Galanga (Plant) Rel Props:Source_db:cmaup_ingredients