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.

1-Tridecene

PubChem CID: 17095

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

Compound Synonyms 1-TRIDECENE, 2437-56-1, tridec-1-ene, N-Tridec-1-ene, Tridecylene, Undecylethylene, alpha-Tridecene, CCRIS 5719, 1-Tridecene, 97%, HSDB 1088, 1-Tridecylene, Tridecene-1, EINECS 219-443-8, .alpha.-Tridecene, MFCD00008976, NSC 78473, UNII-5B0U2S314C, BRN 1744660, DTXSID3029235, 5B0U2S314C, NSC-78473, 1-TRIDECENE [HSDB], 1-C13H26, DTXCID209235, CHEBI:89815, 4-01-00-00921 (Beilstein Handbook Reference), alphaTridecene, NTridec1ene, 1-Tridecene, 96%, CHEMBL3186542, NSC78473, Tox21_202997, LMFA11000331, AKOS015903313, 1-Tridecene [Standard Material for GC], NCGC00260542-01, BP-13303, LS-14252, SY049393, CAS-2437-56-1, DB-046427, CS-0186370, NS00027640, T0637, D92374, Q27162003
Ghose Rule True
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 CCCCCCCCCCCC=C
Heavy Atom Count 13.0
Classyfire Class Unsaturated hydrocarbons
Description Constituent of coconut (Cocos nucifera) fleshand is also present in heated oils of peanut, sunflower and butter. 1-Tridecene is found in many foods, some of which are nuts, fats and oils, milk and milk products, and fruits.
Classyfire Subclass Unsaturated aliphatic hydrocarbons
Isotope Atom Count 0.0
Molecular Complexity 94.2
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name tridec-1-ene
Prediction Hob 1.0
Class Olefins
Veber Rule True
Classyfire Superclass Hydrocarbons
Xlogp 7.3
Superclass Hydrocarbons
Subclass Acyclic olefins
Gsk 4 400 Rule False
Molecular Formula C13H26
Prediction Swissadme 0.0
Inchi Key VQOXUMQBYILCKR-UHFFFAOYSA-N
Silicos It Class Moderately soluble
Fcsp3 0.8461538461538461
Logs -6.522
Rotatable Bond Count 10.0
State Liquid
Logd 4.321
Synonyms &alpha, -tridecene, 1-Tridecylene, Alpha-tridecene, n-Tridec-1-ene, Tridec-1-ene, Tridecene, Tridecene-1, Tridecylene, N-Tridec-1-ene, alpha-Tridecene, 1-tridecene, l-tridecene
Substituent Name Acyclic olefin, Alkene, Aliphatic acyclic compound
Esol Class Moderately soluble
Functional Groups C=CC
Compound Name 1-Tridecene
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 182.203
Formal Charge 0.0
Monoisotopic Mass 182.203
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 182.35
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 -4.922176199999999
Inchi InChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1,4-13H2,2H3
Smiles CCCCCCCCCCCC=C
Nring 0.0
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Unsaturated aliphatic hydrocarbons
Np Classifier Superclass Fatty acyls