1,10-Decanediol
PubChem CID: 37153
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| Compound Synonyms | 1,10-Decanediol, 112-47-0, Decamethylene glycol, Decane-1,10-diol, Decamethylenediol, 1,10-Dihydroxydecane, 1,10-Decamethylenediol, 1,10-Decamethylene diol, 1,6-Bis(2-hydroxyethyl)hexane, 1,10-Decamethylene glycol, EINECS 203-975-2, .alpha.,.omega.-Decanediol, NSC 17165, UNII-5I577UDK52, BRN 1698975, AI3-09208, 5I577UDK52, NSC-17165, SPEZIOL C 10/2, DTXSID3059420, DECAMETHYLENE GLYCOL [MI], 4-01-00-02613 (Beilstein Handbook Reference), alpha,omega-Decanediol, 1,10decanediol, Decane1,10diol, 1,10-decandiol, 1.10-decandiol, alpha,omegaDecanediol, MFCD00004749, 1,10dihydroxydecane, 1,10Decamethylenediol, 1,10Decamethylene diol, SCHEMBL27054, 1,10-Decanediol, 98%, 1,6Bis(2hydroxyethyl)hexane, DTXCID4033261, BDBM36279, 1,10-DECANEDIOL [INCI], BCP04147, NSC17165, AKOS009031399, CS-W017489, FD15257, HY-W016773, AS-14349, DB-041095, D0014, NS00015742, EN300-19917, D70495, 1,10-Decanediol, Vetec(TM) reagent grade, 98%, doi:10.14272/FOTKYAAJKYLFFN-UHFFFAOYSA-N.1, Q20054514, F8880-3145 |
|---|---|
| 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 | OCCCCCCCCCCO |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 64.2 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | decane-1,10-diol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H22O2 |
| Inchi Key | FOTKYAAJKYLFFN-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 9.0 |
| Synonyms | 1,10-decanediol |
| Esol Class | Very soluble |
| Functional Groups | CO |
| Compound Name | 1,10-Decanediol |
| 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 | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H22O2/c11-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2 |
| Smiles | C(CCCCCO)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 Maclura Pomifera (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1763