Hydroxycitronellol
PubChem CID: 249494
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Hydroxycitronellol, 107-74-4, 3,7-Dimethyloctane-1,7-diol, 1,7-Octanediol, 3,7-dimethyl-, 3,7-Dimethyl-1,7-octanediol, Citronellol, hydroxy-, Citronellol hydrate, Hydroxyciol, 3,7-Dimethyloctan-1,7-diol, Hydroxydihydrocitronellol, (+/-)-Hydroxycitronellol, 7-Hydroxy-3,7-dimethyloctan-1-ol, UNII-R0B4U2I48W, FEMA No. 2586, DTXSID6044513, 1,2-Octandiol, 3,7-dimethyl-, 2,8-Octanediol, 2,6-dimethyl-, EINECS 203-517-1, 1-Octanol, 3,7-dimethyl-7-hydroxy-, NSC 406140, NSC-406140, AI3-01951, R0B4U2I48W, DTXCID4024513, HYDROXYCITRONELLOL [FHFI], 3,7-octanediol, Octane-1,7-diol, 3,7-dimethyl, HYDROXYCITRONELLOL, (+/-)-, 2,6-DIMETHYL-2,8-OCTANEDIOL, 1-Octanol,7-dimethyl-7-hydroxy-, WLN: QX1&1&3Y2Q&1, NSC67886, Citronellol, hydroxy, MFCD00046005, 3,7Dimethyloctan1,7diol, 2,6Dimethyl2,8octanediol, 3,7Dimethyl1,7octanediol, 7Hydroxy3,7dimethyloctan1ol, NCIOpen2_000927, 1,7Octanediol, 3,7dimethyl, 2,8Octanediol, 2,6dimethyl, SCHEMBL362466, 1Octanol, 3,7dimethyl7hydroxy, CHEMBL3187980, CHEBI:179046, AAA10774, Tox21_300934, BBL028009, LMFA05000666, NSC-67886, NSC406140, STK802503, 3,7-dimethyl-7-hydroxy octyl alcohol, AKOS006346443, NCGC00248216-01, NCGC00254836-01, AS-59645, CAS-107-74-4, DB-040782, CS-0440502, NS00012635, D92866, Q27287607 |
|---|---|
| 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 | Acyclic monoterpenoids |
| Deep Smiles | OCCCCCCCO)C)C)))))C |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Fatty acyls |
| Description | Hydroxycitronellol, also known as 3,7-dimethyl-1,7-octanediol, is a member of the class of compounds known as fatty alcohols. Fatty alcohols are aliphatic alcohols consisting of a chain of a least six carbon atoms. Thus, hydroxycitronellol is considered to be a fatty alcohol lipid molecule. Hydroxycitronellol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). Within the cell, hydroxycitronellol is primarily located in the cytoplasm and in the membrane (predicted from logP). It can also be found in the extracellular space. |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 110.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,7-dimethyloctane-1,7-diol |
| Class | Fatty Acyls |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 1.9 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H22O2 |
| Inchi Key | FPCCDPXRNNVUOM-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 6.0 |
| Synonyms | 1-Octanol, 3,7-dimethyl-7-hydroxy-, 1,2-Octandiol, 3,7-dimethyl-, 1,2-Octanediol, 3,7-dimethyl-, 1,7-Octanediol, 3,7-dimethyl-, 2,8-Octanediol, 2, 6-dimethyl-, 2,8-Octanediol, 2,6-dimethyl-, 3,7-dimethyloctane-1,7-diol, 7-Hydroxy-3, 7-dimethyloctan-1-ol, 7-Hydroxy-3,7-dimethyloctan-1-ol, 7-Hydroxy-6,7-dihydrocitronellol, Citronellol hydrate, Citronellol, hydroxy-, FEMA 2586, Hydroxycitronellol, Octane-1,7-diol, 3,7-dimethyl, Hydroxydihydrocitronellol, 3,7-Dimethyloctane-1,7-diol, 3,7-Dimethyl-1,7-octanediol, (syn. 3,7-dimethyl-1,7-octanediol), hydroxycitronellol |
| Esol Class | Very soluble |
| Functional Groups | CO |
| Compound Name | Hydroxycitronellol |
| Kingdom | Organic compounds |
| Exact Mass | 174.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 174.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 174.28 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H22O2/c1-9(6-8-11)5-4-7-10(2,3)12/h9,11-12H,4-8H2,1-3H3 |
| Smiles | CC(CCCC(C)(C)O)CCO |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Fatty alcohols |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Gardenia Jasminoides (Plant) Rel Props:Reference:ISBN:9788172361792 - 2. Outgoing r'ship
FOUND_INto/from Vaccinium Corymbosum (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:fooddb_chem_all