3-Ethyl-2-methylheptane
PubChem CID: 139803
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| Compound Synonyms | 3-Ethyl-2-methylheptane, 14676-29-0, 2-Methyl-3-ethylheptane, Heptane, 3-ethyl-2-methyl-, 2-methyl-3-ethyl-heptane, DTXSID40871231, DTXCID20818902, LMFA11000605, AKOS006271538, Q5481720 |
|---|---|
| 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 | CCCCCCC)C))CC |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 64.4 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-ethyl-2-methylheptane |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 5.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H22 |
| Inchi Key | NKMJCVVUYDKHAV-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | 2-methyl-3-ethylheptane |
| Esol Class | Soluble |
| Compound Name | 3-Ethyl-2-methylheptane |
| Exact Mass | 142.172 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 142.172 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 142.28 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H22/c1-5-7-8-10(6-2)9(3)4/h9-10H,5-8H2,1-4H3 |
| Smiles | CCCCC(CC)C(C)C |
| 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 Rosa Canina (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1604167