This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

Heptacosane

PubChem CID: 11636

Connections displayed (default: 10).
Loading graph...

Compound Synonyms HEPTACOSANE, 593-49-7, n-Heptacosane, EINECS 209-792-4, VP371W2GJS, AI3-36283, DTXSID6058637, CHEBI:32941, HSDB 8357, CH3-[CH2]25-CH3, Heptacosane, n-Heptacosane, CH3-(CH2)25-CH3, UNII-VP371W2GJS, nHeptacosane, MFCD00009862, n-Heptacosane 100 microg/mL in Hexane, QSPL 047, QSPL 073, Heptacosane, analytical standard, DTXCID4032324, Heptacosane, >=98.0% (GC), LMFA11000574, AKOS016013111, FH74859, HY-W269368, LS-15223, CS-0314668, H0017, NS00010782, C16045, Q151028, 4557DE11-D8CE-461B-BBA4-5A5BBDA1A670, 209-792-4
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Np Classifier Class Hydrocarbons
Deep Smiles CCCCCCCCCCCCCCCCCCCCCCCCCCC
Heavy Atom Count 27.0
Classyfire Class Saturated hydrocarbons
Description Heptacosane, also known as ch3-[ch2]25-ch3, is a member of the class of compounds known as alkanes. Alkanes are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms. Thus, heptacosane is considered to be a hydrocarbon lipid molecule. Heptacosane can be found in a number of food items such as wild carrot, linden, sweet cherry, and papaya, which makes heptacosane a potential biomarker for the consumption of these food products. The term higher alkanes is sometimes used literally as "alkanes with a higher number of carbon atoms". One definition distinguishes the higher alkanes as the n-alkanes that are solid under natural conditions .
Classyfire Subclass Alkanes
Isotope Atom Count 0.0
Molecular Complexity 208.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name heptacosane
Prediction Hob 0.0
Class Saturated hydrocarbons
Veber Rule False
Classyfire Superclass Hydrocarbons
Xlogp 14.2
Superclass Hydrocarbons
Subclass Alkanes
Gsk 4 400 Rule False
Molecular Formula C27H56
Prediction Swissadme 0.0
Inchi Key BJQWYEJQWHSSCJ-UHFFFAOYSA-N
Silicos It Class Insoluble
Fcsp3 1.0
Logs -7.905
Rotatable Bond Count 24.0
Logd 5.143
Synonyms N-heptacosane, CH3-[CH2]25-CH3, N-Heptacosane, heptacosane, heptacosane*, n-heptacosane
Esol Class Poorly soluble
Compound Name Heptacosane
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 380.438
Formal Charge 0.0
Monoisotopic Mass 380.438
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 380.7
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 -9.587819000000001
Inchi InChI=1S/C27H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3
Smiles CCCCCCCCCCCCCCCCCCCCCCCCCCC
Nring 0.0
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 0.0
Egan Rule False
Taxonomy Direct Parent Alkanes
Np Classifier Superclass Fatty acyls