1.0 2016-10-03 18:41:30 UTC 2020-06-04 19:00:14 UTC BMDB0061885 BMDB61885 3-Methylpentane 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 exists as a solid, possibly soluble (in water), and possibly neutral molecule. 3-Methylpentane is a potentially toxic compound. 3-Methyl-pentane C6H14 86.1754 86.109550448 3-methylpentane 3-methylpentane 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 branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2. Organic compounds Hydrocarbons Saturated hydrocarbons Alkanes Branched alkanes Aliphatic acyclic compound Branched alkane Aliphatic acyclic compounds logp 3.98 ALOGPS logs -3.27 ALOGPS logp 2.97 ChemAxon iupac 3-methylpentane 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 0 ChemAxon refractivity 29.36 ChemAxon polarizability 12.02 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrOneD 2730 Specdb::NmrOneD 3423 Specdb::CMs 34314 Specdb::CMs 164807 Specdb::EiMs 1111 Specdb::MsMs 55053 Specdb::MsMs 55054 Specdb::MsMs 55055 Specdb::MsMs 114849 Specdb::MsMs 114850 Specdb::MsMs 114851 Specdb::MsMs 2263960 Specdb::MsMs 2263961 Specdb::MsMs 2263962 Specdb::MsMs 3074679 Specdb::MsMs 3074680 Specdb::MsMs 3074681 Milk 0.0127 +/- 0.00980 uM In raw milk samples for diets based on grass silage Toso B, Procida G, Stefanon B: Determination of volatile compounds in cows' milk using headspace GC-MS. J Dairy Res. 2002 Nov;69(4):569-77. 12463694 Milk 0.00861 +/- 0.00873 uM In raw milk samples for diets based on maize silage Toso B, Procida G, Stefanon B: Determination of volatile compounds in cows' milk using headspace GC-MS. J Dairy Res. 2002 Nov;69(4):569-77. 12463694 Milk 0.00143 +/- 0.00287 uM In raw milk samples for diets based on hay Toso B, Procida G, Stefanon B: Determination of volatile compounds in cows' milk using headspace GC-MS. J Dairy Res. 2002 Nov;69(4):569-77. 12463694 7282 3-Methylpentane Toso B, Procida G, Stefanon B: Determination of volatile compounds in cows' milk using headspace GC-MS. J Dairy Res. 2002 Nov;69(4):569-77. 12463694