2-Methyl-1-pentanol
PubChem CID: 7745
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| Compound Synonyms | 2-METHYL-1-PENTANOL, 2-Methylpentan-1-ol, 105-30-6, 1-Pentanol, 2-methyl-, 2-Methylpentanol, 2-Methylpentanol-1, sec-Amyl carbinol, (+-)-2-Methylpentanol, 2-MPOH, Amyl methyl alcohol, (+-)-2-Methyl-1-pentanol, HSDB 2890, 2-Methyl-2-propylethanol, NSC 6250, EINECS 203-285-1, UNII-U8933MB30H, BRN 1718974, DTXSID9026714, Methyl-2 pentanol-1, AI3-21997, U8933MB30H, NSC-6250, Isopropyl dimethyl carbinol, DTXCID906714, 3-01-00-01665 (Beilstein Handbook Reference), 2-METHYL-1-PENTANOL [HSDB], 2-METHYLPENTANOL, (+/-)-, 17092-54-5, 2-METHYL-1-PENTANOL, (+/-)-, 2-Methylamyl Alcohol, (2S)-2-methylpentan-1-ol, secAmyl carbinol, 2-Propylpropanol, 2Methylpentanol1, (+)2Methylpentanol, MFCD00004745, 2Methyl2propylethanol, (+)2Methyl1pentanol, 2-methylpentyl alcohol, 1,3-Dimethyl butanol, 2-methyl-1 -pentanol, 2-methyl-pentan-1-ol, 2MPOH, SCHEMBL22659, MLS001061197, 2-Methyl-1-pentanol, 99%, CHEMBL1569610, WLN: Q1Y3&1, NSC6250, HMS3039F16, Tox21_200753, AKOS009157776, NCGC00090959-01, NCGC00090959-02, NCGC00258307-01, BS-22928, CAS-105-30-6, SMR000677936, M0192, NS00021471, EN300-107778, Q3278308, 17092-42-1 |
|---|---|
| Ghose Rule | False |
| 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 | CCCCCO))C |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 35.2 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P16473, P83916, Q16236 |
| Iupac Name | 2-methylpentan-1-ol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Target Id | NPT210 |
| Xlogp | 1.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | PFNHSEQQEPMLNI-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | -1.059 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.619 |
| Synonyms | 2-methyl pentan-1-ol, pentan-1-ol, 2-methyl |
| Esol Class | Very soluble |
| Functional Groups | CO |
| Compound Name | 2-Methyl-1-pentanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 102.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 102.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 102.17 |
| 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 | -1.3905973999999999 |
| Inchi | InChI=1S/C6H14O/c1-3-4-6(2)5-7/h6-7H,3-5H2,1-2H3 |
| Smiles | CCCC(C)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 Anacardium Occidentale (Plant) Rel Props:Reference:ISBN:9780896038776 - 2. Outgoing r'ship
FOUND_INto/from Patrinia Scabiosifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Patrinia Villosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all