2-Hexyl-1-decanol
PubChem CID: 95337
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| Compound Synonyms | 2-Hexyl-1-decanol, 2425-77-6, 2-Hexyldecan-1-ol, 1-Decanol, 2-hexyl-, Hexyldecanol, 2-Hexyldecanol, 2-Hexyldecyl Alcohol, Guerbitol 16, Isofol 16, Rilanit G 16, Exxal 16, Jarcol I 16, NJCOL 160BR, NSC 2399, MFCD00060903, DTXSID1041265, NSC-2399, EINECS 219-370-1, JARCOL I-16, NJCOL 160, AI3-19964, 151Z7P1317, DTXCID9021265, EC 219-370-1, Guerbet Hexadecanol, Guerbet C16, NJCOL 160BRA, 2hexyldecanol, 2hexadecanol, Isohexa decanol, 2Hexyldecan1ol, 2Hexyldecanol1, Branched Alcohol, Isopalmitylalkohol, NSC2399, 2Hexadecyl alcohol, Isopalmitic alcohol, UNII-151Z7P1317, 1Decanol, 2hexyl, Hexyl1decanol, 2, 2-octyl-1-octanol, ISOFOL 16 Alcohol, HEXYLDECANOL [INCI], SCHEMBL15863, 2-Hexyl-1-decanol, 97%, CHEMBL3560208, DTXCID70254614, CHEBI:183266, Tox21_300799, AKOS015912415, CS-W012764, FH23823, NCGC00248173-01, NCGC00254703-01, AS-46984, SY034340, CAS-2425-77-6, H1461, NS00002307, 2-Hexyldecanol, 2-Hexyldecyl alcohol, Exxal 16, F11131, Q27251672 |
|---|---|
| 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 | CCCCCCCCCCCCCCC))))))CO |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 133.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hexyldecan-1-ol |
| Prediction Hob | 1.0 |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 7.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H34O |
| Prediction Swissadme | 0.0 |
| Inchi Key | XULHFMYCBKQGEE-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 1.0 |
| Logs | -6.373 |
| Rotatable Bond Count | 13.0 |
| Logd | 4.477 |
| Synonyms | 2-hexyl-1-decanol |
| Esol Class | Moderately soluble |
| Functional Groups | CO |
| Compound Name | 2-Hexyl-1-decanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 242.261 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.261 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 242.44 |
| 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 |
| Esol | -4.895171399999999 |
| Inchi | InChI=1S/C16H34O/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16-17H,3-15H2,1-2H3 |
| Smiles | CCCCCCCCC(CCCCCC)CO |
| Nring | 0.0 |
| 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 Camellia Sinensis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3385 - 2. Outgoing r'ship
FOUND_INto/from Kaempferia Galanga (Plant) Rel Props:Reference:ISBN:9770972795006 - 3. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Solena Amplexicaulis (Plant) Rel Props:Reference:ISBN:9770972795006 - 5. Outgoing r'ship
FOUND_INto/from Tagetes Erecta (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643747