1,2-Dihydroperillaldehyde
PubChem CID: 527108
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1,2-Dihydroperillaldehyde, cis-1,2-Dihydroperillaldehyde, trans-1,2-Dihydroperillaldehyde, Cyclohexanecarboxaldehyde, 4-(1-methylethenyl)-, 137886-38-5, FEMA No. 4312, 22451-49-6, 0RY0P8YIKM, 4-Isopropenyl-cyclohexanecarboxaldehyde, VPH010VHP3, Cyclohexanecarboxaldehyde, 4-(1-methylethenyl)-, trans-, HW6871CJ1V, 1,2-Dihydroperillaldehyde, (E)-, and (Z)-, Cyclohexanecarboxaldehyde, 4-isopropenyl-, cis-, (+/-)-cis- and trans-1,2-Dihydroperillaldehyde, Cyclohexanecarboxaldehyde, 4-isopropenyl-, trans-, Cyclohexanecarboxaldehyde, 4-(1-methylethenyl)-, cis-, 22451-50-9, UNII-0RY0P8YIKM, trans-Dihydroperillaldehyde, UNII-VPH010VHP3, (+/-)-cis-and trans-1,2-Dihydroperillaldehyde (FIFH), (+/-)-cis-and trans-1,2-Dihydroperillaldehyde [FIFH], UNII-HW6871CJ1V, 1,2-Dihydroperillaldehyde, (E)-, 1,2-Dihydroperillaldehyde, (Z)-, FEMA No. 4312, E-, FEMA No. 4312, Z-, cis-Dihydroperillaldehyde, SCHEMBL4275139, SCHEMBL14495583, SCHEMBL26077749, (+/-)-cis- and trans-1,2-Dihydroperillaldehyde [FIFH], DTXSID60929925, AOVAKEPXEOVCEW-AOOOYVTPSA-N, AOVAKEPXEOVCEW-MGCOHNPYSA-N, AOVAKEPXEOVCEW-UHFFFAOYSA-N, DTXSID301237427, FEMA NO. 4312, CIS-, FEMA NO. 4312, TRANS-, 1,2-DIHYDROPERILLALDEHYDE, CIS-, 1,2-DIHYDROPERILLALDEHYDE, TRANS-, cis-4-(1-Methylethenyl)cyclohexanecarboxaldehyde, Trans-4-(prop-1-en-2-yl)cyclohexanecarbaldehyde, 4-(PROP-1-EN-2-YL)CYCLOHEXANE-1-CARBALDEHYDE, Q27237150, Q27291947, (+/-)-CIS-AND TRANS-1,2-DIHYDROPERILLALDEHYDE, (+/-)-CIS-AND TRANS-1,2-DIHYDROPERILLALDEHYDE [FHFI] |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Menthane monoterpenoids |
| Deep Smiles | O=CCCCCCC6))C=C)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Prenol lipids |
| Description | It is used as a food additive . |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 152.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-prop-1-en-2-ylcyclohexane-1-carbaldehyde |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.8 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoterpenoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16O |
| Scaffold Graph Node Bond Level | C1CCCCC1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AOVAKEPXEOVCEW-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.7 |
| Logs | -2.448 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.572 |
| Synonyms | cis-1,2-dihydroperillaldehyde, trans-1,2-dihydroperillaldehyde |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C, CC=O |
| Compound Name | 1,2-Dihydroperillaldehyde |
| 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 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -2.4095694 |
| Inchi | InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h7,9-10H,1,3-6H2,2H3 |
| Smiles | CC(=C)C1CCC(CC1)C=O |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Menthane monoterpenoids |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Catharanthus Roseus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Enydra Fluctuans (Plant) Rel Props:Reference:https://doi.org/10.1002/1099-1026(200009/10)15:5<299::aid-ffj911>3.0.co;2-i - 3. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all