2-Methylpentane
PubChem CID: 7892
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| Compound Synonyms | 2-METHYLPENTANE, Isohexane, 107-83-5, Pentane, 2-methyl-, 73513-42-5, 2-Methyl pentane, Hexanes, 1,1-Dimethylbutane, 2-Methyl-pentane, Dimethylpropylmethane, Methyl pentane, SOLVENT DEGREASER, HSDB 1125, UNII-49IB0U6MLD, EINECS 203-523-4, 49IB0U6MLD, NSC 66496, DTXSID4029143, AI3-28851, NSC-66496, KYOWASOL C 600M, KYOWAZOL C 600, DTXCID509143, 2-METHYLPENTANE [HSDB], 43133-95-5, CHEBI:88374, (CH3)2CH(CH2)2CH3, iso-hexane, 2-Methylpentane, analytical standard, MFCD02179311, Pentane, methyl-, i-hexane, Pentane, 2methyl, 1,1Dimethylbutane, MFCD00009406, 2-Methylpentane, 5.0%, 2-Methylpentane, >=99%, Hexanes, Environmental Grade, Hexanes, (60% n-hexane), CHEMBL30909, DTXSID20175284, NSC66496, Tox21_200470, WLN: 3Y1 & 1, 2-Methylpentane, >=95.0% (GC), AKOS015907782, NCGC00248641-01, NCGC00258024-01, CAS-107-83-5, M0382, NS00005206, A801767, Q209445, ASTM Method D5191 Vapor Pressure - 46.7 kPa (6.77 psi), Isohexane, mixture of isomeric branched chain hexanes, < 5% n-hexane, 203-523-4 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCCCC)C |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 21.2 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylpentane |
| Prediction Hob | 1.0 |
| Class | Saturated hydrocarbons |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 3.2 |
| Superclass | Hydrocarbons |
| Subclass | Alkanes |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H14 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AFABGHUZZDYHJO-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | -3.581 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.972 |
| Synonyms | 2-Methyl-pentane, 2-methyl pentane, 2-methylpentane |
| Esol Class | Soluble |
| Compound Name | 2-Methylpentane |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 86.1096 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 86.1096 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 86.18 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -2.2457036 |
| Inchi | InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3 |
| Smiles | CCCC(C)C |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Branched alkanes |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Persea Americana (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1495108 - 3. Outgoing r'ship
FOUND_INto/from Thymus Serpyllum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2005.10643419