2,4-Dimethylpentane
PubChem CID: 7907
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| Compound Synonyms | 2,4-DIMETHYLPENTANE, 108-08-7, Pentane, 2,4-dimethyl-, Diisopropylmethane, UNII-4JT8Q9QOHI, 4JT8Q9QOHI, 2,4-dimethyl-pentane, EINECS 203-548-0, NSC 61989, NSC-61989, DTXSID2059358, NSC61989, MFCD00008945, Pentane, 2,4dimethyl, 2,4-Dimethylpentane, 99%, DTXCID0033099, AKOS015841725, 2,4-Dimethylpentane, analytical standard, LS-13365, DB-040810, D0769, NS00019864, D89716, Q2813787, Pentane, 2,4-dimethyl-, 2,4-Dimethylpentane, NSC 61989, 203-548-0 |
|---|---|
| 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)))C |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 29.3 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,4-dimethylpentane |
| Class | Saturated hydrocarbons |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 3.4 |
| Superclass | Hydrocarbons |
| Subclass | Alkanes |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H16 |
| Inchi Key | BZHMBWZPUJHVEE-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2,4-dimethylpentane |
| Esol Class | Soluble |
| Compound Name | 2,4-Dimethylpentane |
| Kingdom | Organic compounds |
| Exact Mass | 100.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 100.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 100.2 |
| 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 |
| Inchi | InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3 |
| Smiles | CC(C)CC(C)C |
| 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 Cryptomeria Japonica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699267