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cis-Phytol

PubChem CID: 6430833

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Compound Synonyms cis-Phytol, (Z)-Phytol, Phytol, (Z)-, FEMA No. 4196, Z-, UNII-42OMA5R73W, 42OMA5R73W, 5492-30-8, 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, (2Z,7R,11R)-, (Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol, Phytol, Z-, SCHEMBL17962948, BOTWFXYSPFMFNR-QYLFUYDXSA-N, CHEBI:140431, EN300-27152319, 6DE99C33-DCB5-4B53-A2A2-6CE9AEE5B599, Q27258561, (2Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol, (7R,11R)(2Z)-3,7,11,15-tetramethylhexadec-2-en-1-ol
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 20.2
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Np Classifier Class Phytane diterpenoids
Deep Smiles OC/C=CCCC[C@@H]CCC[C@@H]CCCCC)C)))))C)))))C)))))/C
Heavy Atom Count 21.0
Classyfire Class Prenol lipids
Classyfire Subclass Diterpenoids
Isotope Atom Count 0.0
Molecular Complexity 255.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Iupac Name (Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol
Prediction Hob 0.0
Veber Rule False
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 8.2
Gsk 4 400 Rule False
Molecular Formula C20H40O
Prediction Swissadme 0.0
Inchi Key BOTWFXYSPFMFNR-QYLFUYDXSA-N
Silicos It Class Moderately soluble
Fcsp3 0.9
Logs -6.039
Rotatable Bond Count 13.0
Logd 5.831
Synonyms (z)-phytol
Esol Class Moderately soluble
Functional Groups C/C=C(C)C, CO
Compound Name cis-Phytol
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
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 1.0
Lipinski Rule Of 5 True
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/b20-15-/t18-,19-/m1/s1
Smiles C[C@@H](CCC[C@@H](C)CCC/C(=C\CO)/C)CCCC(C)C
Nring 0.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 1.0
Egan Rule False
Np Classifier Superclass Diterpenoids