1-Methyl-5-methylidene-9-propan-2-yltricyclo[4.4.0.02,8]dec-3-ene
PubChem CID: 91748745
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| Compound Synonyms | QCLBLMICOAAQOH-UHFFFAOYSA-N |
|---|---|
| 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 | CC1CCC2C3CCC2C1C3 |
| Np Classifier Class | Copaane sesquiterpenoids |
| Deep Smiles | CCCCCCC5CC5C=C)C=C7)))))))C))))C |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | CC1CCC2C3CCC2C1C3 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 336.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-5-methylidene-9-propan-2-yltricyclo[4.4.0.02,8]dec-3-ene |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.5 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H22 |
| Scaffold Graph Node Bond Level | C=C1C=CC2C3CCC2C1C3 |
| Inchi Key | QCLBLMICOAAQOH-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | (+)-copadiene |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C=CC |
| Compound Name | 1-Methyl-5-methylidene-9-propan-2-yltricyclo[4.4.0.02,8]dec-3-ene |
| Exact Mass | 202.172 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 202.172 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 202.33 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H22/c1-9(2)12-8-15(4)13-6-5-10(3)14(15)7-11(12)13/h5-6,9,11-14H,3,7-8H2,1-2,4H3 |
| Smiles | CC(C)C1CC2(C3CC1C2C=CC3=C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Cyperus Rotundus (Plant) Rel Props:Reference:ISBN:9788171360536