(Z)-Nerolidol acetate
PubChem CID: 6430791
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| Compound Synonyms | (Z)-Nerolidol acetate, OXQJDWZQDFSBHW-CLFYSBASSA-N |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 322.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(6Z)-3,11-dimethyldodeca-1,6,10-trien-3-yl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C16H26O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OXQJDWZQDFSBHW-CLFYSBASSA-N |
| Fcsp3 | 0.5625 |
| Logs | -3.5 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.431 |
| Compound Name | (Z)-Nerolidol acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 250.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 250.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 250.38 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.049168399999999 |
| Inchi | InChI=1S/C16H26O2/c1-6-16(5,18-15(4)17)13-11-9-7-8-10-12-14(2)3/h6-7,9,12H,1,8,10-11,13H2,2-5H3/b9-7- |
| Smiles | CC(=CCC/C=C\CCC(C)(C=C)OC(=O)C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Elettaria Cardamomum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients