1.0 2020-04-02 17:36:38 UTC 2025-11-19 03:07:41 UTC FDB097242 Camphor C42H76NO8P 754.043 753.530855409 (1R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one (+-)-camphor [H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC InChI=1S/C42H76NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-27-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-26-15-13-11-9-7-2/h14,16,18-19,21-22,24-25,40H,6-13,15,17,20,23,26-39H2,1-5H3/b16-14-,19-18-,22-21-,25-24-/t40-/m1/s1 MGGLQCYIGIKUIE-SRHQVDMPSA-N belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. Bicyclic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic homopolycyclic compounds Hydrocarbon derivatives Ketones Organic oxides Aliphatic homopolycyclic compound Bicyclic monoterpenoid Bornane monoterpenoid Carbonyl group Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound logp 2.85 ALOGPS logs -2.24 ALOGPS solubility 8.80e-01 g/l ALOGPS logp 2.55 ChemAxon pka_strongest_basic -7.5 ChemAxon iupac (1R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one ChemAxon average_mass 754.043 ChemAxon mono_mass 753.530855409 ChemAxon smiles [H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC ChemAxon formula C42H76NO8P ChemAxon inchi InChI=1S/C42H76NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-27-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-26-15-13-11-9-7-2/h14,16,18-19,21-22,24-25,40H,6-13,15,17,20,23,26-39H2,1-5H3/b16-14-,19-18-,22-21-,25-24-/t40-/m1/s1 ChemAxon inchikey MGGLQCYIGIKUIE-SRHQVDMPSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 44.49 ChemAxon polarizability 26.38 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1742 Specdb::CMs 6013 Specdb::NmrOneD 3872 Specdb::NmrOneD 4141 Specdb::MsMs 241549 Specdb::MsMs 241550 Specdb::MsMs 241551 Specdb::MsMs 243604 Specdb::MsMs 243605 Specdb::MsMs 243606 Cinnamon Type 1 specific Cinnamomum 13428 Common sage Type 1 specific Salvia officinalis 38868 Milk (Cow) Type 2 specific 99.990625 450.0 0.074 uM Rosemary Type 1 specific Rosmarinus officinalis 39367