(E)-4-[2-[(E)-3-hydroxy-3-methylbut-1-enyl]-3,6-dimethylphenyl]-2-methylbut-3-en-2-ol
PubChem CID: 71600584
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL2376609 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 330.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-4-[2-[(E)-3-hydroxy-3-methylbut-1-enyl]-3,6-dimethylphenyl]-2-methylbut-3-en-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C18H26O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HMHFCIOLAIQIJJ-WGDLNXRISA-N |
| Fcsp3 | 0.4444444444444444 |
| Logs | -3.734 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.472 |
| Compound Name | (E)-4-[2-[(E)-3-hydroxy-3-methylbut-1-enyl]-3,6-dimethylphenyl]-2-methylbut-3-en-2-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 274.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 274.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 274.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.6098047999999996 |
| Inchi | InChI=1S/C18H26O2/c1-13-7-8-14(2)16(10-12-18(5,6)20)15(13)9-11-17(3,4)19/h7-12,19-20H,1-6H3/b11-9+,12-10+ |
| Smiles | CC1=C(C(=C(C=C1)C)/C=C/C(O)(C)C)/C=C/C(O)(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
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