3-Cyclopentene-1-acetic acid, 2,2,3-trimethyl-, (R)-
PubChem CID: 12302349
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| Compound Synonyms | 28973-89-9, (+)-Campholenic acid, 3-Cyclopentene-1-acetic acid, 2,2,3-trimethyl-, (R)-, 8QJR9325H8, NSC-44160, (1R)-2,2,3-Trimethyl-3-cyclopentene-1-acetic acid, 2,2,3-Trimethyl-3-cyclopentene-1-acetic acid, (1R)-, 2-((1R)-2,2,3-Trimethylcyclopent-3-en-1-yl)acetic acid, 3-Cyclopentene-1-acetic acid, 2,2,3-trimethyl-, (1R)-, 3-Cyclopentene-1-acetic acid, 2,2,3-trimethyl-, (R)-(+)-, (+)-alpha-Campholenic acid, UNII-8QJR9325H8, (+)-.ALPHA.-CAMPHOLENIC ACID, (R)-2-(2,2,3-Trimethylcyclopent-3-en-1-yl)acetic acid |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Deep Smiles | OC=O)C[C@H]CC=CC5C)C))C |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CCCC1 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 226.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]acetic acid |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 1.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16O2 |
| Scaffold Graph Node Bond Level | C1=CCCC1 |
| Inchi Key | RKLDHGIEBMSKAK-MRVPVSSYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | alpha-campholenic-acid |
| Esol Class | Very soluble |
| Functional Groups | CC(=O)O, CC=C(C)C |
| Compound Name | 3-Cyclopentene-1-acetic acid, 2,2,3-trimethyl-, (R)- |
| Exact Mass | 168.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 168.23 |
| 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 |
| Inchi | InChI=1S/C10H16O2/c1-7-4-5-8(6-9(11)12)10(7,2)3/h4,8H,5-6H2,1-3H3,(H,11,12)/t8-/m1/s1 |
| Smiles | CC1=CC[C@@H](C1(C)C)CC(=O)O |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Boswellia Serrata (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279