1.0 2010-04-08 22:12:46 UTC 2019-11-26 03:14:01 UTC FDB016977 xi-3-Methyldodecane Constituent of chick pea (Cicer arientinum) and coconut. xi-3-Methyldodecane is found in pulses and nuts. C13H28 184.3614 184.219100896 3-methyldodecane 3-methyldodecane CCCCCCCCCC(C)CC InChI=1S/C13H28/c1-4-6-7-8-9-10-11-12-13(3)5-2/h13H,4-12H2,1-3H3 GRJUENNHVNYCHD-UHFFFAOYSA-N belongs to the class of organic compounds known as branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2. Branched alkanes Organic compounds Hydrocarbons Saturated hydrocarbons Alkanes Aliphatic acyclic compounds Aliphatic acyclic compound Branched alkane Hydrocarbons logp 7.41 ALOGPS logs -6.26 ALOGPS solubility 1.02e-04 g/l ALOGPS logp 6.09 ChemAxon iupac 3-methyldodecane ChemAxon average_mass 184.3614 ChemAxon mono_mass 184.219100896 ChemAxon smiles CCCCCCCCCC(C)CC ChemAxon formula C13H28 ChemAxon inchi InChI=1S/C13H28/c1-4-6-7-8-9-10-11-12-13(3)5-2/h13H,4-12H2,1-3H3 ChemAxon inchikey GRJUENNHVNYCHD-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 61.56 ChemAxon polarizability 26.54 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14818 Specdb::CMs 133214 Specdb::CMs 140948 Specdb::MsMs 65250 Specdb::MsMs 65251 Specdb::MsMs 65252 Specdb::MsMs 122619 Specdb::MsMs 122620 Specdb::MsMs 122621 Specdb::MsMs 2793788 Specdb::MsMs 2793789 Specdb::MsMs 2793790 Specdb::MsMs 2885288 Specdb::MsMs 2885289 Specdb::MsMs 2885290 HMDB37828 #<Reference:0x000055ce307e2580> Nuts Unknown generic Pulses Unknown generic