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.

3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-

PubChem CID: 98497

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

ℹ️ Click here to know more about the properties
Compound Synonyms 91819-58-8, Campholenic aldehyde, 2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehyde, Campholenealdehyde, (2,2,3-Trimethyl-cyclopent-3-enyl)-acetaldehyde, alpha-Campholenic aldehyde, .alpha.-Campholenal, 3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-, (2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehyde, 2,2,3-Trimethyl-3-cyclopenten-1-acetaldehyde, .alpha.-Campholene aldehyde, 2-(2,2,3-trimethylcyclopent-3-enyl)acetaldehyde, .alpha.-Campholenaldehyde, (R)-Campholenic aldehyde, alpha-Campholenaldehyde, .alpha.-Campholenic aldehyde, DTXSID60859874, NSC 58148, NSC 96743, NSC-58148, NSC-96743, 2,2,3-Trimethylcyclopent-3-en-1-yl acetaldehyde, 2,3-Trimethyl-3-cyclopentacetaldehyde, 3-Cyclopentene-1-acetaldehyde,2,3-trimethyl-, CHEBI:48697, Camphonealdehyde, alpha-Campholene aldehyde, .alpha.-Campholen aldehyde, .alpha.-Compholene aldehyde, .gamma.-Campholene aldehyde, 3PT83BF2PD, NCIOpen2_001620, (+/-)-Campholenic aldehyde, SCHEMBL1782826, Campholenic aldehyde, (+/-)-, FEMA 3592, (R)-.alpha.-Campholene aldehyde, DTXCID60209911, (+/-)-alpha-Campholenic aldehyde, NSC58148, NSC96743, STK723512, AKOS000555892, AKOS016038181, FT151076, 2,2,3-Trimethyl-3-cyclopentacetaldehyde, (R)-, 2,2,3-Trimethyl-3-cyclopenten-1-ylacetaldehyde, 2,2,3-trimethylcyclopent3-en-1-yl acetaldehyde, 2-(2,2,3-trimethylcyclopent-3-en-yl) ethaldehyde, 2-(2,2,3-trimethylcyclopent-3-en-1-yl) acetaldehyde, Q27121337, 2-(2,2,3-TRIMETHYL-3-CYCLOPENTENYL)ACETALDEHYDE, (2,2,3-Trimethyl-3-cyclopenten-1-yl)acetaldehyde-, (R)- #
Topological Polar Surface Area 17.1
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 11.0
Description Flavouring ingredient. Found in Juniperus communis (juniper)
Isotope Atom Count 0.0
Molecular Complexity 189.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehyde
Prediction Hob 1.0
Class Prenol lipids
Xlogp 1.9
Superclass Lipids and lipid-like molecules
Subclass Monoterpenoids
Molecular Formula C10H16O
Prediction Swissadme 0.0
Inchi Key OGCGGWYLHSJRFY-UHFFFAOYSA-N
Fcsp3 0.7
Logs -2.989
Rotatable Bond Count 2.0
Logd 2.811
Synonyms (S)-2,2,3-Trimethylcyclopent-3-ene-1-acetaldehyde, 2,2,3-Trimethyl-3-cyclopenten-1-ylacetaldehyde, Campholenic aldehyde, FEMA 3592, (R)-2,2,3-Trimethylcyclopent-3-ene-1-acetaldehyde, (R)-Campholenic aldehyde, 2,2,3-Trimethyl-3-cyclopentene-1-acetaldehyde, (R)-, 3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-, (1R)-, Campholenal, alpha-, Campholenaldehyde, alpha-, 2,2,3-Trimethyl-3-cyclopentene-1-acetaldehyde, 2,2,3-Trimethylcyclopent-3-en-1-yl acetaldehyde, 2-(2,2,3-Trimethylcyclopent-3-en-1-yl)acetaldehyde, alpha-Campholenic aldehyde, a-Campholenic aldehyde, Α-campholenic aldehyde, a-Campholenaldehyde, Α-campholenaldehyde
Compound Name 3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 152.12
Formal Charge 0.0
Monoisotopic Mass 152.12
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 152.23
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic homomonocyclic compounds
Esol -1.8236694
Inchi InChI=1S/C10H16O/c1-8-4-5-9(6-7-11)10(8,2)3/h4,7,9H,5-6H2,1-3H3
Smiles CC1=CCC(C1(C)C)CC=O
Nring 1.0
Defined Bond Stereocenter Count 0.0
Taxonomy Direct Parent Monocyclic monoterpenoids

  • 1. Outgoing r'ship FOUND_IN to/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Chrysanthemum Morifolium (Plant) Rel Props:Source_db:npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Curcuma Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Curcuma Phaeocaulis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Helianthus Annuus (Plant) Rel Props:Source_db:fooddb_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Hypericum Perforatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Laggera Pterodonta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Liquidambar Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Platycladus Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
Back to Browse   Back to Home