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1-Tritriacontanol

PubChem CID: 156150

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Compound Synonyms 1-Tritriacontanol, tritriacontanol, tritriacontan-1-ol, n-tritriacontanol, 71353-61-2, DTXSID00221556, SCHEMBL810872, DTXCID30144047, ZERSFCCIRKUIFX-UHFFFAOYSA-N, LMFA05000604
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 Fatty alcohols
Deep Smiles CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
Heavy Atom Count 34.0
Classyfire Class Fatty acyls
Description Constituent of Amaranthus subspecies and Citrus aurantium (Seville orange). 1-Tritriacontanol is found in citrus.
Classyfire Subclass Fatty alcohols
Isotope Atom Count 0.0
Molecular Complexity 327.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name tritriacontan-1-ol
Prediction Hob 0.0
Class Fatty Acyls
Veber Rule False
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 16.5
Superclass Lipids and lipid-like molecules
Subclass Fatty alcohols
Gsk 4 400 Rule False
Molecular Formula C33H68O
Prediction Swissadme 0.0
Inchi Key ZERSFCCIRKUIFX-UHFFFAOYSA-N
Silicos It Class Insoluble
Fcsp3 1.0
Logs -7.791
Rotatable Bond Count 31.0
State Solid
Logd 4.799
Synonyms N-tritriacontanol, Tritriacontanol, N-Tritriacontanol, 1-tritriacontanol, tritriacontanol
Esol Class Insoluble
Functional Groups CO
Compound Name 1-Tritriacontanol
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 480.527
Formal Charge 0.0
Monoisotopic Mass 480.527
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 480.9
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic acyclic compounds
Lipinski Rule Of 5 True
Esol -11.057217200000004
Inchi InChI=1S/C33H68O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34/h34H,2-33H2,1H3
Smiles CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
Nring 0.0
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 0.0
Egan Rule False
Taxonomy Direct Parent Fatty alcohols
Np Classifier Superclass Fatty acyls