2-Cyclobutyl-2-propanol
PubChem CID: 547749
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| Compound Synonyms | 2-Cyclobutyl-2-propanol, 2-cyclobutylpropan-2-ol, 59383-67-4, MFCD00049149, Dimethylcyclobutylcarbinol, 2-cyclobutyl-propan-2-ol, SCHEMBL3145985, DTXSID20338231, XVOCZBPSPXMFPW-UHFFFAOYSA-N, AKOS006271511, SY266302, F97904 |
|---|---|
| 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 | CCCCCC4))))O)C |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCC1 |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 82.4 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-cyclobutylpropan-2-ol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H14O |
| Scaffold Graph Node Bond Level | C1CCC1 |
| Inchi Key | XVOCZBPSPXMFPW-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2-cyclobutyl-2-propanol |
| Esol Class | Very soluble |
| Functional Groups | CO |
| Compound Name | 2-Cyclobutyl-2-propanol |
| Exact Mass | 114.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 114.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 114.19 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C7H14O/c1-7(2,8)6-4-3-5-6/h6,8H,3-5H2,1-2H3 |
| Smiles | CC(C)(C1CCC1)O |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
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