Cycloheptanol, 1-methyl-2-methylene-
PubChem CID: 556537
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| Compound Synonyms | Cycloheptanol, 1-methyl-2-methylene-, BYHLGMHSLROREH-UHFFFAOYSA-N, 1-Methyl-2-methylenecycloheptanol # |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCCCC1 |
| Deep Smiles | C=CCCCCCC7C)O |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | CC1CCCCCC1 |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 140.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-2-methylidenecycloheptan-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H16O |
| Scaffold Graph Node Bond Level | C=C1CCCCCC1 |
| Inchi Key | BYHLGMHSLROREH-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | cycloheptanol,1-methyl-2-methylene |
| Esol Class | Very soluble |
| Functional Groups | C=C(C)C, CO |
| Compound Name | Cycloheptanol, 1-methyl-2-methylene- |
| Exact Mass | 140.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 140.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 140.22 |
| 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/C9H16O/c1-8-6-4-3-5-7-9(8,2)10/h10H,1,3-7H2,2H3 |
| Smiles | CC1(CCCCCC1=C)O |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Achillea Santolina (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1362998