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(E,Z)-Farnesol

PubChem CID: 1549109

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Compound Synonyms (E,Z)-farnesol, 2-trans,6-cis-farnesol, (2E,6Z)-farnesol, trans,cis-Farnesol, 2E,6Z-farnesol, 3879-60-5, Farnesol, (2E,6Z)-, (2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, (2-trans,6-cis)-farnesol, farnesol, UNII-413TVZ4919, CHEBI:35966, FEMA No. 2478, (2E,6Z)-, 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, (2E,6Z)-, 413TVZ4919, 3,7,11-Trimethyldodeca-2-trans,6-cis,10-trien-1-ol, Farnesyl alcohol, 3,7,11-trimethyldodeca-2E,6Z,10-trien-1-ol, (E,Z)-3,7,11-trimethyl-2,6,10-dodecatrien-1-ol, (2E,6Z)-3,7,11-trimethyl-2,6,10-dodecatrien-1-ol, (2-trans,6-cis)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, NSC60597, NSC-60597, 4602-84-0, CHEMBL488357, SCHEMBL1301184, DTXSID501034821, LMPR0103010006, 3,11-Trimethyl-2,6,10-dodecatrienol, 2,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, EN300-21042726, 3,7,11-trimethyl-dodeca-2trans,6cis,10-trien-1-ol, Q27116653, 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, (E,Z)-
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 20.2
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Np Classifier Class Acyclic monoterpenoids, Farnesane sesquiterpenoids
Deep Smiles OC/C=C/CC/C=CCCC=CC)C)))))/C)))))C
Heavy Atom Count 16.0
Classyfire Class Prenol lipids
Classyfire Subclass Sesquiterpenoids
Isotope Atom Count 0.0
Molecular Complexity 265.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 4.8
Gsk 4 400 Rule False
Molecular Formula C15H26O
Prediction Swissadme 0.0
Inchi Key CRDAMVZIKSXKFV-GNESMGCMSA-N
Silicos It Class Soluble
Fcsp3 0.6
Logs -4.113
Rotatable Bond Count 7.0
Logd 3.75
Synonyms (2e, 6z)-farnesol, (2e,6z) farnesol, (2e,6z)- farnesol, (2e,6z)-farnesol, (e,z)-farnesol, (z, e)-farnesolg, (z,e)-2,6-farnesol, 2(e),6(z)-farnesol, e,z-farnesol
Esol Class Soluble
Functional Groups C/C=C(/C)C, C/C=C(C)C, CC=C(C)C, CO
Compound Name (E,Z)-Farnesol
Prediction Hob Swissadme 0.0
Exact Mass 222.198
Formal Charge 0.0
Monoisotopic Mass 222.198
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 222.37
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 2.0
Lipinski Rule Of 5 True
Esol -4.1713064
Inchi InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9-,15-11+
Smiles CC(=CCC/C(=C\CC/C(=C/CO)/C)/C)C
Nring 0.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 2.0
Egan Rule True
Np Classifier Superclass Sesquiterpenoids, Monoterpenoids

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