Farnesyl acetate, (2Z,6Z)-
PubChem CID: 1551479
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| Compound Synonyms | (2Z,6Z)-Farnesyl acetate, all-cis-Farnesyl acetate, 6KSQ7YD7EB, Farnesyl acetate, (2Z,6Z)-, UNII-6KSQ7YD7EB, 24163-97-1, FEMA No. 4213, (2Z,6Z)-, [(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] acetate, 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, acetate, (Z,Z)-, 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, 1-acetate, (2Z,6Z)-, Farnesyl acetate, ((2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl) acetate, SCHEMBL806928, Trans,trans-farnesyl acetate,95%, LMFA07010254, Q27265064, (2Z,6Z)-3,7,11-Trimethyl-2,6,10-dodecatrienyl acetate #, Acetic acid, [(Z,Z)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl] ester |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Farnesane sesquiterpenoids |
| Deep Smiles | C/C=C/CC/C=CCOC=O)C)))))/C)))))/CCC=CC)C |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 355.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] acetate |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 5.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C17H28O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZGIGZINMAOQWLX-CYRKZOTCSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.5882352941176471 |
| Logs | -3.026 |
| Rotatable Bond Count | 9.0 |
| Logd | 2.481 |
| Synonyms | farnesy lacetate, farnesyl acetate, farnesyl acetate, farnesyl acetate*, farnesyl acetate● |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=C(C)C, CC=C(C)C, COC(C)=O |
| Compound Name | Farnesyl acetate, (2Z,6Z)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 264.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 264.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Lipinski Rule Of 5 | True |
| Esol | -4.6023358 |
| Inchi | InChI=1S/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3/b15-10-,16-12- |
| Smiles | CC(=CCC/C(=C\CC/C(=C\COC(=O)C)/C)/C)C |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
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