Hepta-1,6-dien-4-ol
PubChem CID: 17902
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Hepta-1,6-dien-4-ol, 1,6-HEPTADIEN-4-OL, 2883-45-6, 1,6-Heptadiene-4-ol, MFCD00008663, AI3-37263, EINECS 220-742-0, NSC 97509, BRN 1736942, VD28S33WW8, DTXSID70870999, 4-01-00-02249 (Beilstein Handbook Reference), NSC-97509, diallylcarbinol, Hepta1,6dien4ol, NSC97509, UNII-VD28S33WW8, SCHEMBL347521, 1,6-Heptadien-4-ol, 97%, DTXCID30818675, CHEBI:229301, BBL104178, STL557992, AKOS005259695, MS-20807, SY045301, DB-068013, CS-0064549, NS00048790, EN300-187657, 220-742-0 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | C=CCCCC=C)))O |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 66.5 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hepta-1,6-dien-4-ol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H12O |
| Inchi Key | UTGFOWQYZKTZTN-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 1,6-heptadien-4-ol |
| Esol Class | Very soluble |
| Functional Groups | C=CC, CO |
| Compound Name | Hepta-1,6-dien-4-ol |
| Exact Mass | 112.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 112.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 112.17 |
| 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/C7H12O/c1-3-5-7(8)6-4-2/h3-4,7-8H,1-2,5-6H2 |
| Smiles | C=CCC(CC=C)O |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Prunella Vulgaris (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644102