2-Methylpentan-3-ol
PubChem CID: 11264
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-METHYL-3-PENTANOL, 2-Methylpentan-3-ol, 565-67-3, 3-Pentanol, 2-methyl-, Propanol, 1-isopropyl-, BRN 1718952, EINECS 209-286-3, 2-Methyl-pentan-3-ol, PVA5FLE5K2, ISTJMQSHILQAEC-UHFFFAOYSA-, DTXSID70870616, 2-Methyl-3-pentanol, (+/-)-, 4-01-00-01716 (Beilstein Handbook Reference), Ethyl isopropyl carbinol, 2Methylpentan3ol, 3Pentanol, 2methyl, MFCD00004567, Propanol, 1isopropyl, 4-Methyl-3-pentanol, UNII-PVA5FLE5K2, DL-4-Methylpentan-3-ol, SCHEMBL85852, (+/-)-2-Methyl-3-pentanol, (R)-3-Hydroxy-2-methylpentane, DTXCID20818321, 2-Methyl-3-pentanol, >=99%, MFCD24254205, AKOS009159110, (+/-)-4-METHYL-3-PENTANOL, 1-ETHYL-2-METHYLPROPYL ALCOHOL, AS-87444, SY237422, NS00042358, EN300-140250, Q3278285, Z445987082, 209-286-3 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 7.0 |
| Description | 2-methylpentan-3-ol is a member of the class of compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl). 2-methylpentan-3-ol is soluble (in water) and an extremely weak acidic compound (based on its pKa). 2-methylpentan-3-ol can be found in tea, which makes 2-methylpentan-3-ol a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 41.4 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylpentan-3-ol |
| Nih Violation | False |
| Class | Organooxygen compounds |
| Xlogp | 1.8 |
| Superclass | Organic oxygen compounds |
| Is Pains | False |
| Subclass | Alcohols and polyols |
| Molecular Formula | C6H14O |
| Inchi Key | ISTJMQSHILQAEC-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| Compound Name | 2-Methylpentan-3-ol |
| Kingdom | Organic compounds |
| Exact Mass | 102.104 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 102.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 102.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C6H14O/c1-4-6(7)5(2)3/h5-7H,4H2,1-3H3 |
| Smiles | CCC(C(C)C)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Secondary alcohols |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all