1,9-Nonanediol
PubChem CID: 19835
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| Compound Synonyms | 1,9-NONANEDIOL, nonane-1,9-diol, 3937-56-2, 1,9-Dihydroxynonane, NSC 5416, Nonamethylene glycol, alpha,omega-Nonanediol, .alpha.,.omega.-Nonanediol, MFCD00002991, NSC-5416, EINECS 223-517-5, N4385C65C6, 1,9-Nonane--d14-diol, AI3-06325, DTXSID5063237, NSC5416, 1219805-89-6, alpha,omega-Nonanediol1,9-Dihydroxynonane, C9H20O2, UNII-N4385C65C6, 1,9-nonandiol, 1,9-nonane-diol, nonan-1,9-diol, 1,9-Nonanediol, 98%, SCHEMBL28047, DTXCID2039625, ,-Nonanediol1,9-Dihydroxynonane, BDBM36278, CHEBI:167089, DAA93756, AKOS015856563, AS-16029, SY015121, DB-020532, CS-0008364, N0287, NS00030570, EN300-213026, F20315, Q20054536 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | OCCCCCCCCCO |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 56.6 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | nonane-1,9-diol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H20O2 |
| Inchi Key | ALVZNPYWJMLXKV-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 8.0 |
| Synonyms | nonan-1,9-diol |
| Esol Class | Very soluble |
| Functional Groups | CO |
| Compound Name | 1,9-Nonanediol |
| Exact Mass | 160.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 160.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 160.25 |
| 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/C9H20O2/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2 |
| Smiles | C(CCCCO)CCCCO |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Humulus Lupulus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730040407