Cyclobutaneethanol, 2-isopropenyl-1-methyl-, cis-(+)-
PubChem CID: 6432285
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| Compound Synonyms | Fragranol, Cyclobutaneethanol, 2-isopropenyl-1-methyl-, cis-(+)-, Cyclobutaneethanol, 1-methyl-2-(1-methylethenyl)-, trans-, Cyclobutaneethanol, 2-isopropenyl-1-methyl-, stereoisomer, Cyclobutaneethanol, 1-methyl-2-(1-methylethenyl)-, (1R-cis)-, SCHEMBL7708509, SJKPJXGGNKMRPD-NXEZZACHSA-N, 2-(2-Isopropenyl-1-methylcyclobutyl)ethanol #, Q67879891, (+)-2-((1r,2r)-2-isopropenyl-1-methylcyclobutyl)ethanol |
|---|---|
| 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 | C1CCC1 |
| Np Classifier Class | Menthane monoterpenoids |
| Deep Smiles | C[C@]CCO)))CC[C@@H]4C=C)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCC1 |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 162.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | 2-[(1R,2R)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethanol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18O |
| Scaffold Graph Node Bond Level | C1CCC1 |
| Inchi Key | SJKPJXGGNKMRPD-NXEZZACHSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | fragranol |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C, CO |
| Compound Name | Cyclobutaneethanol, 2-isopropenyl-1-methyl-, cis-(+)- |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H18O/c1-8(2)9-4-5-10(9,3)6-7-11/h9,11H,1,4-7H2,2-3H3/t9-,10-/m1/s1 |
| Smiles | CC(=C)[C@H]1CC[C@]1(C)CCO |
| 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 Achillea Millefolium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2016.1150216 - 2. Outgoing r'ship
FOUND_INto/from Arnica Montana (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2016.1150216 - 3. Outgoing r'ship
FOUND_INto/from Artemisia Absinthium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2016.1150216 - 4. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2016.1150216 - 5. Outgoing r'ship
FOUND_INto/from Artemisia Maritima (Plant) Rel Props:Reference:ISBN:9788172361792; ISBN:9788185042084