2,4,6-Trimethylheptane
PubChem CID: 137658
Connections displayed (default: 10).
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| Compound Synonyms | 2,4,6-Trimethylheptane, 2613-61-8, 2,4,6-TRIMETHYL HEPTANE, Heptane, 2,4,6-trimethyl-, DTXSID30180763, DTXCID70103254, DB-046843, NS00096194, EN300-7055778, Q5651210, Z1255415595, 813-803-3 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 62.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,4,6-trimethylheptane |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C10H22 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YNLBBDHDNIXQNL-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -5.301 |
| Rotatable Bond Count | 4.0 |
| Logd | 5.394 |
| Compound Name | 2,4,6-Trimethylheptane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 142.172 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 142.172 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 142.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4569731999999993 |
| Inchi | InChI=1S/C10H22/c1-8(2)6-10(5)7-9(3)4/h8-10H,6-7H2,1-5H3 |
| Smiles | CC(C)CC(C)CC(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients