About (5E)-3-(2-hydroxyethyl)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]cyclopent-2-en-1-one;(5E)-3-(2-hydroxyethyl)-5-[(2E,5Z)-octa-2,5-dienylidene]cyclopent-2-en-1-one;(4S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(2-methoxypropyl)cyclopent-2-en-1-one;bis((4S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one);2-[(1S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-oxocyclopent-2-en-1-yl]-N,N-dimethylacetamide;(4S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(4-pentyl-1,3-thiazol-2-yl)cyclopent-2-en-1-one;(Z)-7-[(1S,5E)-5-[(3S,5Z,8Z)-3-hydroxyundeca-5,8-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid;methyl (Z)-7-[(1S,5E)-5-[(3S,5Z,8Z)-3-hydroxyundeca-5,8-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate
(5E)-3-(2-hydroxyethyl)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]cyclopent-2-en-1-one;(5E)-3-(2-hydroxyethyl)-5-[(2E,5Z)-octa-2,5-dienylidene]cyclopent-2-en-1-one;(4S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(2-methoxypropyl)cyclopent-2-en-1-one;bis((4S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one);2-[(1S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-oxocyclopent-2-en-1-yl]-N,N-dimethylacetamide;(4S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(4-pentyl-1,3-thiazol-2-yl)cyclopent-2-en-1-one;(Z)-7-[(1S,5E)-5-[(3S,5Z,8Z)-3-hydroxyundeca-5,8-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid;methyl (Z)-7-[(1S,5E)-5-[(3S,5Z,8Z)-3-hydroxyundeca-5,8-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate (PubChem CID 157168226) has the molecular formula C174H252N2O25S
and a molecular weight of 2803.99 g/mol. Its IUPAC name is (5E)-3-(2-hydroxyethyl)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]cyclopent-2-en-1-one;(5E)-3-(2-hydroxyethyl)-5-[(2E,5Z)-octa-2,5-dienylidene]cyclopent-2-en-1-one;(4S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(2-methoxypropyl)cyclopent-2-en-1-one;bis((4S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one);2-[(1S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-oxocyclopent-2-en-1-yl]-N,N-dimethylacetamide;(4S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(4-pentyl-1,3-thiazol-2-yl)cyclopent-2-en-1-one;(Z)-7-[(1S,5E)-5-[(3S,5Z,8Z)-3-hydroxyundeca-5,8-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid;methyl (Z)-7-[(1S,5E)-5-[(3S,5Z,8Z)-3-hydroxyundeca-5,8-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate.
Frequently Asked Questions
What is the IUPAC name of (5E)-3-(2-hydroxyethyl)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]cyclopent-2-en-1-one;(5E)-3-(2-hydroxyethyl)-5-[(2E,5Z)-octa-2,5-dienylidene]cyclopent-2-en-1-one;(4S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(2-methoxypropyl)cyclopent-2-en-1-one;bis((4S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one);2-[(1S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-oxocyclopent-2-en-1-yl]-N,N-dimethylacetamide;(4S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(4-pentyl-1,3-thiazol-2-yl)cyclopent-2-en-1-one;(Z)-7-[(1S,5E)-5-[(3S,5Z,8Z)-3-hydroxyundeca-5,8-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid;methyl (Z)-7-[(1S,5E)-5-[(3S,5Z,8Z)-3-hydroxyundeca-5,8-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate?
The IUPAC name of (5E)-3-(2-hydroxyethyl)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]cyclopent-2-en-1-one;(5E)-3-(2-hydroxyethyl)-5-[(2E,5Z)-octa-2,5-dienylidene]cyclopent-2-en-1-one;(4S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(2-methoxypropyl)cyclopent-2-en-1-one;bis((4S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one);2-[(1S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-oxocyclopent-2-en-1-yl]-N,N-dimethylacetamide;(4S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(4-pentyl-1,3-thiazol-2-yl)cyclopent-2-en-1-one;(Z)-7-[(1S,5E)-5-[(3S,5Z,8Z)-3-hydroxyundeca-5,8-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid;methyl (Z)-7-[(1S,5E)-5-[(3S,5Z,8Z)-3-hydroxyundeca-5,8-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate (CID 157168226) is (5E)-3-(2-hydroxyethyl)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]cyclopent-2-en-1-one;(5E)-3-(2-hydroxyethyl)-5-[(2E,5Z)-octa-2,5-dienylidene]cyclopent-2-en-1-one;(4S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(2-methoxypropyl)cyclopent-2-en-1-one;bis((4S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one);2-[(1S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-oxocyclopent-2-en-1-yl]-N,N-dimethylacetamide;(4S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(4-pentyl-1,3-thiazol-2-yl)cyclopent-2-en-1-one;(Z)-7-[(1S,5E)-5-[(3S,5Z,8Z)-3-hydroxyundeca-5,8-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid;methyl (Z)-7-[(1S,5E)-5-[(3S,5Z,8Z)-3-hydroxyundeca-5,8-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate.
What is the SMILES notation for (5E)-3-(2-hydroxyethyl)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]cyclopent-2-en-1-one;(5E)-3-(2-hydroxyethyl)-5-[(2E,5Z)-octa-2,5-dienylidene]cyclopent-2-en-1-one;(4S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(2-methoxypropyl)cyclopent-2-en-1-one;bis((4S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one);2-[(1S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-oxocyclopent-2-en-1-yl]-N,N-dimethylacetamide;(4S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(4-pentyl-1,3-thiazol-2-yl)cyclopent-2-en-1-one;(Z)-7-[(1S,5E)-5-[(3S,5Z,8Z)-3-hydroxyundeca-5,8-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid;methyl (Z)-7-[(1S,5E)-5-[(3S,5Z,8Z)-3-hydroxyundeca-5,8-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate?
The canonical SMILES for (5E)-3-(2-hydroxyethyl)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]cyclopent-2-en-1-one;(5E)-3-(2-hydroxyethyl)-5-[(2E,5Z)-octa-2,5-dienylidene]cyclopent-2-en-1-one;(4S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(2-methoxypropyl)cyclopent-2-en-1-one;bis((4S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one);2-[(1S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-oxocyclopent-2-en-1-yl]-N,N-dimethylacetamide;(4S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(4-pentyl-1,3-thiazol-2-yl)cyclopent-2-en-1-one;(Z)-7-[(1S,5E)-5-[(3S,5Z,8Z)-3-hydroxyundeca-5,8-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid;methyl (Z)-7-[(1S,5E)-5-[(3S,5Z,8Z)-3-hydroxyundeca-5,8-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate is CC/C=C\C/C=C/C=C1\CC(CCO)=CC1=O.CC/C=C\C/C=C\C[C@H](O)C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC(=O)O.CC/C=C\C/C=C\C[C@H](O)C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC(=O)OC.CC/C=C\C[C@H](O)C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCCC.CC/C=C\C[C@H](O)C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCCC.CC/C=C\C[C@H](O)C/C=C1/C(=O)C=C[C@@H]1CC(=O)N(C)C.CC/C=C\C[C@H](O)C/C=C1/C(=O)C=C[C@@H]1CC(C)OC.CC/C=C\C[C@H](O)C/C=C1/C(=O)C=C[C@@H]1c1nc(CCCCC)cs1.CC/C=C\C[C@H](O)C/C=C1\CC(CCO)=CC1=O.
What is the InChIKey of (5E)-3-(2-hydroxyethyl)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]cyclopent-2-en-1-one;(5E)-3-(2-hydroxyethyl)-5-[(2E,5Z)-octa-2,5-dienylidene]cyclopent-2-en-1-one;(4S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(2-methoxypropyl)cyclopent-2-en-1-one;bis((4S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one);2-[(1S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-oxocyclopent-2-en-1-yl]-N,N-dimethylacetamide;(4S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(4-pentyl-1,3-thiazol-2-yl)cyclopent-2-en-1-one;(Z)-7-[(1S,5E)-5-[(3S,5Z,8Z)-3-hydroxyundeca-5,8-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid;methyl (Z)-7-[(1S,5E)-5-[(3S,5Z,8Z)-3-hydroxyundeca-5,8-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate?
The InChIKey is ANDXGWPCMOCLBF-JCGRBXLNSA-N. The full InChI is InChI=1S/C24H34O4.C23H32O4.C21H29NO2S.2C21H32O2.C17H25NO3.C17H26O3.C15H22O3.C15H20O2/c1-3-4-5-6-7-11-14-21(25)17-18-22-20(16-19-23(22)26)13-10-8-9-12-15-24(27)28-2;1-2-3-4-5-6-10-13-20(24)16-17-21-19(15-18-22(21)25)12-9-7-8-11-14-23(26)27;1-3-5-7-9-16-15-25-21(22-16)19-13-14-20(24)18(19)12-11-17(23)10-8-6-4-2;2*1-3-5-7-8-9-11-12-18-14-17-21(23)20(18)16-15-19(22)13-10-6-4-2;1-4-5-6-7-14(19)9-10-15-13(8-11-16(15)20)12-17(21)18(2)3;1-4-5-6-7-15(18)9-10-16-14(8-11-17(16)19)12-13(2)20-3;1-2-3-4-5-14(17)7-6-13-10-12(8-9-16)11-15(13)18;1-2-3-4-5-6-7-8-14-11-13(9-10-16)12-15(14)17/h4-5,7-8,10-11,16,18-21,25H,3,6,9,12-15,17H2,1-2H3;3-4,6-7,9-10,15,17-20,24H,2,5,8,11-14,16H2,1H3,(H,26,27);6,8,12-15,17,19,23H,3-5,7,9-11H2,1-2H3;2*6,9-11,14,16-19,22H,3-5,7-8,12-13,15H2,1-2H3;5-6,8,10-11,13-14,19H,4,7,9,12H2,1-3H3;5-6,8,10-11,13-15,18H,4,7,9,12H2,1-3H3;3-4,6,11,14,16-17H,2,5,7-10H2,1H3;3-4,6-8,12,16H,2,5,9-11H2,1H3/b5-4-,10-8-,11-7-,22-18+;4-3-,9-7-,10-6-,21-17+;8-6-,18-12+;2*10-6-,11-9-,20-16+;6-5-,15-10+;6-5-,16-10+;4-3-,13-6+;4-3-,7-6+,14-8+/t20-,21-;19-,20-;17-,19-;2*18-,19-;13-,14+;13?,14-,15+;14-;/m00000110./s1.
What are the key properties of (5E)-3-(2-hydroxyethyl)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]cyclopent-2-en-1-one;(5E)-3-(2-hydroxyethyl)-5-[(2E,5Z)-octa-2,5-dienylidene]cyclopent-2-en-1-one;(4S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(2-methoxypropyl)cyclopent-2-en-1-one;bis((4S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one);2-[(1S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-oxocyclopent-2-en-1-yl]-N,N-dimethylacetamide;(4S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(4-pentyl-1,3-thiazol-2-yl)cyclopent-2-en-1-one;(Z)-7-[(1S,5E)-5-[(3S,5Z,8Z)-3-hydroxyundeca-5,8-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid;methyl (Z)-7-[(1S,5E)-5-[(3S,5Z,8Z)-3-hydroxyundeca-5,8-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate?
(5E)-3-(2-hydroxyethyl)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]cyclopent-2-en-1-one;(5E)-3-(2-hydroxyethyl)-5-[(2E,5Z)-octa-2,5-dienylidene]cyclopent-2-en-1-one;(4S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(2-methoxypropyl)cyclopent-2-en-1-one;bis((4S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one);2-[(1S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-oxocyclopent-2-en-1-yl]-N,N-dimethylacetamide;(4S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(4-pentyl-1,3-thiazol-2-yl)cyclopent-2-en-1-one;(Z)-7-[(1S,5E)-5-[(3S,5Z,8Z)-3-hydroxyundeca-5,8-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid;methyl (Z)-7-[(1S,5E)-5-[(3S,5Z,8Z)-3-hydroxyundeca-5,8-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate has a molecular weight of 2803.99 g/mol, XLogP of 36.53, 86 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(2-hydroxyethyl)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]cyclopent-2-en-1-one;(5E)-3-(2-hydroxyethyl)-5-[(2E,5Z)-octa-2,5-dienylidene]cyclopent-2-en-1-one;(4S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(2-methoxypropyl)cyclopent-2-en-1-one;bis((4S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-[(Z)-oct-2-enyl]cyclopent-2-en-1-one);2-[(1S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-oxocyclopent-2-en-1-yl]-N,N-dimethylacetamide;(4S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-(4-pentyl-1,3-thiazol-2-yl)cyclopent-2-en-1-one;(Z)-7-[(1S,5E)-5-[(3S,5Z,8Z)-3-hydroxyundeca-5,8-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid;methyl (Z)-7-[(1S,5E)-5-[(3S,5Z,8Z)-3-hydroxyundeca-5,8-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate is sourced from PubChem (CID 157168226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).