2-Methylhexane
PubChem CID: 11582
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| Compound Synonyms | 2-METHYLHEXANE, 591-76-4, Hexane, 2-methyl-, ISOHEPTANE, Isobepane, 31394-54-4, D 726, EINECS 209-730-6, UNII-YI4679P2SP, NSC 24840, YI4679P2SP, EINECS 250-610-8, NSC-24840, DTXSID5052256, EC 250-610-8, 2-methyl-hexane, Hexane, 2methyl, MFCD00009487, 2-Methylhexane, 99%, 2-Methylhexane, NSC 24840, CHEMBL1797267, DTXCID0030827, DTXSID90193632, CHEBI:230545, DTXSID201014575, NSC24840, AKOS015841662, LS-13367, DB-053334, M0231, NS00002780, D91294, Q183300, 250-610-8 |
|---|---|
| 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 | CCCCCC)C |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Saturated hydrocarbons |
| Classyfire Subclass | Alkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 29.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylhexane |
| Class | Saturated hydrocarbons |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 3.7 |
| Superclass | Hydrocarbons |
| Subclass | Alkanes |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H16 |
| Inchi Key | GXDHCNNESPLIKD-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | Heptanes, Isoheptanes, Heptane, Isoheptane, 2-methylhexane |
| Esol Class | Soluble |
| Compound Name | 2-Methylhexane |
| 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/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3 |
| Smiles | CCCCC(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 Jasminum Sambac (Plant) Rel Props:Reference:ISBN:9788172361150