2-Tridecanol
PubChem CID: 15449
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| Compound Synonyms | 2-TRIDECANOL, Tridecan-2-ol, 1653-31-2, 2-Hydroxytridecane, 2-Tridecyl Alcohol, Methylundecylcarbinol, Methyl undecyl carbinol, EINECS 216-723-1, AI3-35265, DTXSID40987402, NSC 9499, Tridecan2ol, 1-methyldodecanol, EINECS 268-011-5, MFCD00037601, 1-methyl-1-dodecanol, 1-methyldodecyl alcohol, SCHEMBL20639, DTXCID9029431, NSC9499, CHEBI:195621, NSC-9499, LMFA05000523, AKOS009159388, BS-43908, CS-0206890, NS00046803, T0633, D92373, 216-723-1 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | CCCCCCCCCCCCO)C |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 101.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tridecan-2-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 5.6 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C13H28O |
| Inchi Key | HKOLRKVMHVYNGG-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 10.0 |
| Synonyms | 2- tridecanol, 2-tridecan-1-ol, 2-tridecanol |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | 2-Tridecanol |
| Exact Mass | 200.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 200.214 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 200.36 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C13H28O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h13-14H,3-12H2,1-2H3 |
| Smiles | CCCCCCCCCCCC(C)O |
| 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 Acmella Radicans (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1524 - 2. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700383 - 3. Outgoing r'ship
FOUND_INto/from Carica Papaya (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1248 - 4. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644111 - 5. Outgoing r'ship
FOUND_INto/from Glycosmis Pentaphylla (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9699568 - 6. Outgoing r'ship
FOUND_INto/from Musa Paradisiaca (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2003.9712071 - 7. Outgoing r'ship
FOUND_INto/from Passiflora Edulis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.9699469