2-Tridecen-1-ol, (2E)-
PubChem CID: 5364949
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| Compound Synonyms | trans-2-Tridecen-1-ol, 74962-98-4, (E)-tridec-2-en-1-ol, 68480-25-1, (E)-2-Tridecen-1-ol, 2-Tridecen-1-ol, (E)-, 2-Tridecen-1-ol, (2E)-, TRANS-2-TRIDECENOL, (2E)-2-Tridecen-1-ol, EINECS 278-041-0, VND7X225Z7, AI3-36050, FEMA NO. 4617, 2-TRIDECEN-1-OL, TRANS, (Z)-Tridec-2-en-1-ol, EINECS 270-902-9, UNII-VND7X225Z7, TRANS-2-TRIDECEN-1-OL 97, MFCD00014048, (E)-2-Tridecenol, E-2-Tridecen-1-ol, (2E)-tridec-2-en-1-ol, SCHEMBL1245079, SCHEMBL1246059, CHEMBL2228469, DTXSID40880868, AKOS015836254, HY-W127554, CS-0185777, NS00095820, T1502, G86079, Q27291920 |
|---|---|
| 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 | CCCCCCCCCC/C=C/CO |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 118.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-tridec-2-en-1-ol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 5.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C13H26O |
| Prediction Swissadme | 0.0 |
| Inchi Key | VPYJHNADOJDSGU-VAWYXSNFSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.8461538461538461 |
| Rotatable Bond Count | 10.0 |
| Synonyms | (e)-2-tridecen-1-ol, 2-tridecen-1-ol |
| Esol Class | Soluble |
| Functional Groups | C/C=C/C, CO |
| Compound Name | 2-Tridecen-1-ol, (2E)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 198.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 198.34 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Esol | -3.67317 |
| Inchi | InChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-12,14H,2-10,13H2,1H3/b12-11+ |
| Smiles | CCCCCCCCCC/C=C/CO |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2008.10643676 - 2. Outgoing r'ship
FOUND_INto/from Houttuynia Cordata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Nerium Oleander (Plant) Rel Props:Reference:ISBN:9770972795006