1.0 2020-04-02 17:34:11 UTC 2020-09-17 15:34:28 UTC FDB097214 3-Methoxy-tyramine-betaxanthin 3-Methylpentane belongs to the class of organic compounds known as branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2. 3-Methylpentane is a branched chain alkane with the molecular formula C6H14. It is a structural isomer of hexane composed of a methyl group bonded to the third carbon atom in a pentane chain. It is of similar structure to the isomeric 2-methylpentane, which has the methyl group located on the second carbon of the pentane chain. 3-Methylpentane is possibly neutral. 3-Methylpentane is a potentially toxic compound. It causes degeneration of the peripheral nervous system (and eventually the central nervous system), starting with damage to the nerve axons. It is distributed throughout the body in the blood, and metabolized by mixed function oxidases in the liver to a number of metabolites. Certain kinds of special glues used in the roofing and shoe and leather industries also contain hexane. C6H14 86.1754 86.109550448 (2S,4E)-4-[(2Z)-2-{[2-(4-hydroxy-3-methoxyphenyl)ethyl]imino}ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid (2S,4E)-4-[(2Z)-2-{[2-(4-hydroxy-3-methoxyphenyl)ethyl]imino}ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid CCC(C)CC InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3 PFEOZHBOMNWTJB-UHFFFAOYSA-N belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Methoxyphenols Organic compounds Benzenoids Phenols Methoxyphenols Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Amino acids Anisoles Azacyclic compounds Carbonyl compounds Carboxylic acids Dialkylamines Dicarboxylic acids and derivatives Enamines Hydrocarbon derivatives L-alpha-amino acids Methoxybenzenes Organic oxides Organopnictogen compounds Phenoxy compounds Propargyl-type 1,3-dipolar organic compounds Shiff bases Tetrahydropyridines 1-hydroxy-2-unsubstituted benzenoid Aldimine Alkyl aryl ether Alpha-amino acid Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Anisole Aromatic heteromonocyclic compound Azacycle Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Enamine Ether Hydrocarbon derivative Hydropyridine Imine L-alpha-amino acid Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol ether Phenoxy compound Propargyl-type 1,3-dipolar organic compound Secondary aliphatic amine Secondary amine Shiff base Tetrahydropyridine Betaxanthins phenols logp 2.19 ALOGPS logs -3.65 ALOGPS solubility 8.05e-02 g/l ALOGPS logp -2 ChemAxon pka_strongest_acidic 3.59 ChemAxon pka_strongest_basic 11.81 ChemAxon iupac (2S,4E)-4-[(2Z)-2-{[2-(4-hydroxy-3-methoxyphenyl)ethyl]imino}ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid ChemAxon average_mass 86.1754 ChemAxon mono_mass 86.109550448 ChemAxon smiles CCC(C)CC ChemAxon formula C6H14 ChemAxon inchi InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3 ChemAxon inchikey PFEOZHBOMNWTJB-UHFFFAOYSA-N ChemAxon polar_surface_area 128.45 ChemAxon refractivity 95.55 ChemAxon polarizability 36.7 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 240040 Specdb::MsMs 240041 Specdb::MsMs 240042 Specdb::MsMs 242095 Specdb::MsMs 242096 Specdb::MsMs 242097 Milk (Cow) Type 2 specific 50.758963 252.0 0.00143 uM Swiss chard Type 1 specific Beta vulgaris ssp. cicla 1527200