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Phytol [FHFI]

PubChem CID: 9018

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Compound Synonyms Phytol [FHFI], Phytol, Phytol, (E,Z)-, UNII-5BC2RZ81NG, FEMA No. 4196, 5BC2RZ81NG, 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, (R-(R*,R*))-, 123164-54-5, BOTWFXYSPFMFNR-RTBURBONSA-N, 7541-49-3
Topological Polar Surface Area 20.2
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 21.0
Isotope Atom Count 0.0
Molecular Complexity 255.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Iupac Name (7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol
Prediction Hob 0.0
Xlogp 8.2
Molecular Formula C20H40O
Prediction Swissadme 0.0
Inchi Key BOTWFXYSPFMFNR-RTBURBONSA-N
Fcsp3 0.9
Logs -6.647
Rotatable Bond Count 13.0
Logd 6.018
Compound Name Phytol [FHFI]
Prediction Hob Swissadme 0.0
Exact Mass 296.308
Formal Charge 0.0
Monoisotopic Mass 296.308
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 296.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 1.0
Esol -5.9802418
Inchi InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/t18-,19-/m1/s1
Smiles C[C@@H](CCC[C@@H](C)CCCC(=CCO)C)CCCC(C)C
Nring 0.0
Defined Bond Stereocenter Count 0.0