alpha-Campholenal
PubChem CID: 1252759
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| Compound Synonyms | alpha-Campholenal, 4501-58-0, 3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-, (1R)-, 2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]acetaldehyde, Campholenal, alpha-, FEMA No. 3592, (R)-(+)-campholenic aldehyde, 75LU5216DI, Campholenaldehyde, alpha-, (+)-CAMPHOLENAL, (+)-campholenic aldehyde, (R)-alpha-campholenaldehyde, (+)-CAMPHOLENALDEHYDE, [(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]acetaldehyde, DTXSID3044756, CHEBI:49150, (R)-.alpha.-Campholenic aldehyde, (+)-(R)-CAMPHOLENALDEHYDE, EINECS 224-815-8, (+)-.ALPHA.-CAMPHOLENALDEHYDE, alpha-Campholenaldehyde, 3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-, (R)-, 2,2,3-Trimethyl-3-cyclopentacetaldehyde, (+)-.ALPHA.-CAMPHOLENIC ALDEHYDE, AI3-23129, (+)-(R)-.ALPHA.-CAMPHOLENIC ALDEHYDE, EC 224-815-8, (R)-2,2,3-Trimethyl-3-cyclopentene-1-acetaldehyde, (R)-2,2,3-Trimethylcyclopent-3-ene-1-acetaldehyde, 2,2,3-Trimethyl-3-cyclopentene-1-acetaldehyde, (R)-, (R)-2-(2,2,3-Trimethylcyclopent-3-en-1-yl)acetaldehyde, 2,2,3-TRIMETHYLCYCLOPENT-3-EN-1-YL ACETALDEHYDE [FHFI], 2,2,3-Trimethylcyclopent-3-en-1-yl acetaldehyde, CHEBI:48697, ((1R)-2,2,3-TRIMETHYLCYCLOPENT-3-EN-1-YL)ACETALDEHYDE, Campholenic aldehyde, (+)-, UNII-75LU5216DI, CAMPHOLENAL, .ALPHA.-, CHEMBL3184714, DTXCID1024756, SCHEMBL15316770, OGCGGWYLHSJRFY-SECBINFHSA-N, (+)-ALPHA-CAMPHOLENALDEHYDE, Tox21_301648, (R)-ALPHA-CAMPHOLENIC ALDEHYDE, AKOS006239754, (+)-ALPHA-CAMPHOLENIC ALDEHYDE, NCGC00256080-01, CAS-4501-58-0, (+)-(R)-ALPHA-CAMPHOLENIC ALDEHYDE, G55643, EN300-6770905, Q27121498, Z1198153130 |
|---|---|
| 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 | C1CCCC1 |
| Deep Smiles | O=CC[C@H]CC=CC5C)C))C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CCCC1 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 189.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]acetaldehyde |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 1.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16O |
| Scaffold Graph Node Bond Level | C1=CCCC1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OGCGGWYLHSJRFY-SECBINFHSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.7 |
| Logs | -2.705 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.839 |
| Synonyms | alpha-campholenal, alpha-campholene aldehyde, campholenal, alpha, campholenic aldehyde, campholenic-aldehyde, α- campholene aldehyde, α-campholenal, α-campholenal*, γ-campholene aldehyde |
| Esol Class | Very soluble |
| Functional Groups | CC=C(C)C, CC=O |
| Compound Name | alpha-Campholenal |
| 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 | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| 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/t9-/m1/s1 |
| Smiles | CC1=CC[C@@H](C1(C)C)CC=O |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
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