1.0 2010-04-08 22:06:22 UTC 2025-11-18 22:57:18 UTC FDB004729 N-Heptadecane Heptadecane, also known as CH3-[CH2]15-CH3, belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2, and consist entirely of hydrogen atoms and saturated carbon atoms. Heptadecane is a hydrocarbon lipid molecule that is volatile, very hydrophobic, practically insoluble in water, and relatively neutral. In the IUPAC nomenclature, the name of this compound is simply heptadecane, since the other isomers are viewed and named as alkyl-substituted versions of smaller alkanes. The unbranched isomer is normal or n-heptadecane. Indeed, it is believed to be the smallest "impossible" alkane. Heptadecane has been detected in lemon balms, coconuts, orange bell peppers, allspices, and pepper (c. annuum). This could make heptadecane a potential biomarker for the consumption of these foods. Heptadecane blocks the de novo synthesis of fatty acids and has an anti-inflammatory effect in aged kidneys (PMID: 23555655). Heptadecane Heptadecane-CPD Heptadekan n-HEPTADECANE, 99% Normal-heptadecane C17H36 240.4677 240.281701152 heptadecane heptadecane 629-78-7 CCCCCCCCCCCCCCCCC InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3 NDJKXXJCMXVBJW-UHFFFAOYSA-N belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms. Alkanes Organic compounds Hydrocarbons Saturated hydrocarbons Alkanes Aliphatic acyclic compounds Acyclic alkane Aliphatic acyclic compound Alkane Hydrocarbons Hydrocarbons a small molecule long-chain alkane liquid logp 9.01 ALOGPS logs -7.23 ALOGPS solubility 1.41e-05 g/l ALOGPS melting_point 22 oC logp 8.02 ChemAxon iupac heptadecane ChemAxon average_mass 240.4677 ChemAxon mono_mass 240.281701152 ChemAxon smiles CCCCCCCCCCCCCCCCC ChemAxon formula C17H36 ChemAxon inchi InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3 ChemAxon inchikey NDJKXXJCMXVBJW-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 80.02 ChemAxon polarizability 35.48 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1713 Specdb::NmrOneD 3942 Specdb::NmrOneD 4222 Specdb::CMs 1366 Specdb::CMs 28496 Specdb::CMs 28860 Specdb::CMs 29964 Specdb::CMs 31668 Specdb::CMs 35704 Specdb::CMs 172583 Specdb::MsMs 58341 Specdb::MsMs 58342 Specdb::MsMs 58343 Specdb::MsMs 114255 Specdb::MsMs 114256 Specdb::MsMs 114257 Specdb::MsMs 2297422 Specdb::MsMs 2297423 Specdb::MsMs 2297424 Specdb::MsMs 2637961 Specdb::MsMs 2637962 Specdb::MsMs 2637963 HMDB0059830 Allspice Type 1 specific Pimenta dioica 375272 Asian pear Type 1 specific Pyrus pyrifolia 3767 Black elderberry Type 1 specific Sambucus nigra 4202 Coconut Type 1 specific Cocos nucifera 13894 Coriander Type 1 specific Coriandrum sativum 4047 Green bell pepper Type 1 specific Capsicum annuum 4072 Lemon balm Type 1 specific Melissa officinalis 39338 Mung bean Type 1 specific Vigna radiata 157791 Orange bell pepper Type 1 specific Capsicum annuum 4072 Papaya Type 1 specific Carica papaya 3649 Pepper Type 1 specific Capsicum annuum 4072 Pepper (C. frutescens) Type 1 specific Capsicum annuum var. annuum 40321 Pepper (Spice) Type 1 specific Piper nigrum 13216 Red bell pepper Type 1 specific Capsicum annuum 4072 Soy bean Type 1 specific Glycine max 3847 Sunflower Type 1 specific Helianthus annuus 4232 Yellow bell pepper Type 1 specific Capsicum annuum 4072 alkane