1H-Indene, 3-ethyl-1-(1-methylethyl)-
PubChem CID: 588702
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| Compound Synonyms | 1H-Indene, 3-ethyl-1-(1-methylethyl)-, IXYXDNSLNZZOOZ-UHFFFAOYSA-N, 3-Ethyl-1-isopropyl-1H-indene #, (1H)Indene, 3-ethyl-1-(1-methylethyl)- |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCC2C1 |
| Deep Smiles | CCC=CCcc5cccc6))))))CC)C |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Indenes and isoindenes |
| Scaffold Graph Node Level | C1CCC2CCCC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 224.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-ethyl-1-propan-2-yl-1H-indene |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 4.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C14H18 |
| Scaffold Graph Node Bond Level | C1=Cc2ccccc2C1 |
| Inchi Key | IXYXDNSLNZZOOZ-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 1h-indene,3-ethyl-1-(1-methylethyl) |
| Esol Class | Soluble |
| Functional Groups | cC(C)=CC |
| Compound Name | 1H-Indene, 3-ethyl-1-(1-methylethyl)- |
| Exact Mass | 186.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 186.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 186.29 |
| Gi Absorption | False |
| 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/C14H18/c1-4-11-9-14(10(2)3)13-8-6-5-7-12(11)13/h5-10,14H,4H2,1-3H3 |
| Smiles | CCC1=CC(C2=CC=CC=C21)C(C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Absinthium (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2015.1010605