(E,6R,10R)-3,6,10,14-tetramethylpentadec-2-en-1-ol
PubChem CID: 6857772
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| Compound Synonyms | Spectrum5_000492, BSPBio_003387, SPECTRUM310021, CHEMBL3039479, SCHEMBL23760328, (E,6R,10R)-3,6,10,14-tetramethylpentadec-2-en-1-ol, CCG-38480, SDCCGMLS-0066635.P001, NCGC00178100-01, SR-05000002534, SR-05000002534-1 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 242.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (E,6R,10R)-3,6,10,14-tetramethylpentadec-2-en-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 7.6 |
| Molecular Formula | C19H38O |
| Prediction Swissadme | 0.0 |
| Inchi Key | VNYGDSNUPVEJKI-IWBCJCCCSA-N |
| Fcsp3 | 0.8947368421052632 |
| Logs | -6.16 |
| Rotatable Bond Count | 12.0 |
| Logd | 5.954 |
| Compound Name | (E,6R,10R)-3,6,10,14-tetramethylpentadec-2-en-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 282.292 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 282.292 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 282.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.619074400000001 |
| Inchi | InChI=1S/C19H38O/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-19(5)14-15-20/h14,16-18,20H,6-13,15H2,1-5H3/b19-14+/t17-,18-/m1/s1 |
| Smiles | C[C@@H](CCC[C@@H](C)CC/C(=C/CO)/C)CCCC(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corymbia Citriodora (Plant) Rel Props:Source_db:cmaup_ingredients