7-Ethyl-2-methyl-4-undecanol
PubChem CID: 97948
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| Compound Synonyms | 7-Ethyl-2-methyl-4-undecanol, 103-20-8, 7-Ethyl-2-methylundecan-4-ol, 4-Undecanol, 7-ethyl-2-methyl-, 7-Ethyl-2-methyl-4-hendecanol, EINECS 203-088-0, NSC 60591, 2-Methyl-7-ethyl-4-undecanol, DTXSID80883292, 4-Undecanol,7-ethyl-2-methyl-, NSC60591, MFCD00027253, SCHEMBL700964, DTXCID101022834, NSC-60591, AKOS016009845, LS-14361, DB-369573, CS-0198842, E0144, NS00041344, D90443 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 131.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-ethyl-2-methylundecan-4-ol |
| Prediction Hob | 1.0 |
| Xlogp | 5.5 |
| Molecular Formula | C14H30O |
| Prediction Swissadme | 0.0 |
| Inchi Key | JKKBSZCOVNFRCQ-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.852 |
| Rotatable Bond Count | 9.0 |
| Logd | 4.879 |
| Compound Name | 7-Ethyl-2-methyl-4-undecanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 214.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 214.23 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 214.39 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.0465366 |
| Inchi | InChI=1S/C14H30O/c1-5-7-8-13(6-2)9-10-14(15)11-12(3)4/h12-15H,5-11H2,1-4H3 |
| Smiles | CCCCC(CC)CCC(CC(C)C)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients