4-Methyl-2-pentanol
PubChem CID: 7910
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| Compound Synonyms | 4-METHYL-2-PENTANOL, 4-Methylpentan-2-ol, 108-11-2, Isobutylmethylcarbinol, 2-Pentanol, 4-methyl-, Methyl isobutyl carbinol, 2-Methyl-4-pentanol, Methyl amyl alcohol, Methylisobutylcarbinol, 1,3-Dimethylbutanol, Isobutylmethylmethanol, MIBC, 4-Methylpentanol-2, MAOH, Methylisobutyl carbinol, Metilamil alcohol, 3-MIC, dl-Methylisobutylcarbinol, 4-Methyl-2-amyl alcohol, 4-Methyl-2-pentyl alcohol, Alcool methyl amylique, 4-Metilpentan-2-olo, 4-Pentanol, 2-methyl-, MIC [Alcohol], NSC 9384, Methyl-isobutylkarbinol, CCRIS 2304, HSDB 1154, EINECS 203-551-7, UNII-8U34XJK0R0, UN2053, BRN 1098268, (+/-)-4-Methyl-2-pentanol, DTXSID2026781, NSC-9384, 1,3-Dimethyl-1-butanol, 8U34XJK0R0, DTXCID806781, 1,3-DIMETHYLBUTYL ALCOHOL, EC 203-551-7, (.+/-.)-4-Methyl-2-pentanol, 4-01-00-01717 (Beilstein Handbook Reference), MIC (Alcohol), 4-METHYL-2-PENTANOL [HSDB], UN 2053, Metilamil alcohol [Italian], CAS-108-11-2, (+-)-4-Methyl-2-pentanol, Methyl-isobutylkarbinol [Czech], Alcool methyl amylique [French], 4-Metilpentan-2-olo [Italian], Alcohol methyl amylique [French], Alcohol methyl amylique, 4-methyl-pentan-2-ol, Isobutyl methyl carbinol, MFCD00004550, 4-Methyl-pentan-2-ol, 4-Methylpentan-2-ol, 2-Methyl-4-pentanol, 2Methyl4pentanol, 4Methylpentanol2, 4Metilpentan2olo, 1,3Dimethylbutanol, 4-methyl2-pentanol, 2Pentanol, 4methyl, 4Pentanol, 2methyl, Methylisobutylkarbinol, 4Methyl2amyl alcohol, methyl-isobutylcarbinol, (+)4Methyl2pentanol, 1,3-dimethyl-butanol, dlMethylisobutylcarbinol, 4Methyl2pentyl alcohol, 2-Methanol-4-pentanol, methyl-isobutyl-carbinol, 4-Dimethyl butan-2-ol, 4-methyl-2-hydroxy-pentane, Methyl amyl alcohol (OSHA), SCHEMBL15658, ISOBUTYL METHYLMETHANOL, (r/s)-4-methyl-2-pentanol, 4-Methyl-2-pentanol, 97%, 4-Methyl-2-pentanol, 98%, CHEMBL448896, SCHEMBL1507393, (2R/S)-4-methyl-2-pentanol, NSC9384, Tox21_200436, Tox21_300083, AKOS000121379, AKOS016843909, Methyl isobutyl carbinol (ACGIH:OSHA), WLN: QY1 & 1Y1 & 1, NCGC00247899-01, NCGC00247899-02, NCGC00253966-01, NCGC00257990-01, FM165442, DB-016695, DB-064520, M0386, NS00005475, EN300-21133, 4-Methyl-2-pentanol, purum, >=97.5% (GC), 2-Methyl-4-pentanol 100 microg/mL in Acetonitrile, Q2528979, METHYL ISOBUTYL CARBINOL (METHYL AMYL ALCOHOL), Methyl isobutyl carbinol [UN2053] [Flammable liquid] |
|---|---|
| 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 | CCCCO)C)))C |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 41.4 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methylpentan-2-ol |
| Class | Organooxygen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.7 |
| Superclass | Organic oxygen compounds |
| Subclass | Alcohols and polyols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H14O |
| Inchi Key | WVYWICLMDOOCFB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | Isobutylmethylcarbinol, chromium salt (3+), Isobutylmethylcarbinol, (R)-isomer, Methyl isobutyl carbinol, Isobutylmethylcarbinol, (S)-isomer, Isobutylmethylcarbinol, Isobutylmethylcarbinol, (+-)-isomer, 4-Methyl-2-pentanol, 4-methyl-2-pentanol |
| Esol Class | Very soluble |
| Functional Groups | CO |
| Compound Name | 4-Methyl-2-pentanol |
| Kingdom | Organic compounds |
| 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 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3 |
| Smiles | CC(C)CC(C)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Secondary alcohols |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Cinnamomum Camphora (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1993.9698258 - 2. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2008.10643676 - 3. Outgoing r'ship
FOUND_INto/from Piper Attenuatum (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199909/10)14:5<279::aid-ffj821>3.0.co;2-0 - 4. Outgoing r'ship
FOUND_INto/from Piper Cubeba (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199909/10)14:5<279::aid-ffj821>3.0.co;2-0 - 5. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199909/10)14:5<279::aid-ffj821>3.0.co;2-0