Bicyclo[3.1.0]hexane, 1-methyl-6-(1-methylethylidene)-
PubChem CID: 578236
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| Compound Synonyms | 56701-52-1, Bicyclo[3.1.0]hexane, 1-methyl-6-(1-methylethylidene)-, Bicyclo[3.1.0]hexane, 6-isopropylidene-1-methyl-, DTXSID00342058, CSIZHOMQBOGEAV-UHFFFAOYSA-N, 1-Methyl-6-(1-methylethylidene)bicyclo[3.1.0]hexane, 1-Methyl-6-(1-methylethylidene)bicyclo[3.1.0]hexane # |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCC12 |
| Deep Smiles | CC=CCC3C)CCC5))))))C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | CC1C2CCCC12 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 196.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-6-propan-2-ylidenebicyclo[3.1.0]hexane |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16 |
| Scaffold Graph Node Bond Level | C=C1C2CCCC12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CSIZHOMQBOGEAV-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.8 |
| Logs | -4.48 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.636 |
| Synonyms | 1-methyl-6-isopropylidene-bicyclo[3_1_0]hexane, bicyclo (3.1.0) hexane, 6-isopropylidene-1-methyl |
| Esol Class | Soluble |
| Functional Groups | CC(C)=C1CC1 |
| Compound Name | Bicyclo[3.1.0]hexane, 1-methyl-6-(1-methylethylidene)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 136.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 136.23 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -2.8077756000000003 |
| Inchi | InChI=1S/C10H16/c1-7(2)9-8-5-4-6-10(8,9)3/h8H,4-6H2,1-3H3 |
| Smiles | CC(=C1C2C1(CCC2)C)C |
| Nring | 2.0 |
| 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 Jasminum Sambac (Plant) Rel Props:Reference:ISBN:9788172361150 - 2. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all