potassium;(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol;[(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;[(3aR,4R,5R)-2-oxo-4-(3-oxodecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;(Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxyoctyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid;(1S,3R,4R,5R)-4-(3,3-dimethoxyoctyl)-5-[(Z)-hept-2-enyl]cyclopentane-1,3-diol;6-(triphenyl-λ5-phosphanylidene)hexanoate

C137H212KO28P — CID 160833613

About potassium;(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol;[(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;[(3aR,4R,5R)-2-oxo-4-(3-oxodecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;(Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxyoctyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid;(1S,3R,4R,5R)-4-(3,3-dimethoxyoctyl)-5-[(Z)-hept-2-enyl]cyclopentane-1,3-diol;6-(triphenyl-λ5-phosphanylidene)hexanoate

potassium;(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol;[(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;[(3aR,4R,5R)-2-oxo-4-(3-oxodecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;(Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxyoctyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid;(1S,3R,4R,5R)-4-(3,3-dimethoxyoctyl)-5-[(Z)-hept-2-enyl]cyclopentane-1,3-diol;6-(triphenyl-λ5-phosphanylidene)hexanoate (PubChem CID 160833613) has the molecular formula C137H212KO28P and a molecular weight of 2377.25 g/mol. Its IUPAC name is potassium;(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol;[(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;[(3aR,4R,5R)-2-oxo-4-(3-oxodecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;(Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxyoctyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid;(1S,3R,4R,5R)-4-(3,3-dimethoxyoctyl)-5-[(Z)-hept-2-enyl]cyclopentane-1,3-diol;6-(triphenyl-λ5-phosphanylidene)hexanoate.

Molecular Properties

• Compound Name: potassium;(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol;[(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;[(3aR,4R,5R)-2-oxo-4-(3-oxodecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;(Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxyoctyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid;(1S,3R,4R,5R)-4-(3,3-dimethoxyoctyl)-5-[(Z)-hept-2-enyl]cyclopentane-1,3-diol;6-(triphenyl-λ5-phosphanylidene)hexanoate
• PubChem CID: 160833613
• Molecular Formula: C137H212KO28P
• Molecular Weight: 2377.25 g/mol
• Exact Mass: 2375.45
• IUPAC Name: potassium;(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol;[(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;[(3aR,4R,5R)-2-oxo-4-(3-oxodecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;(Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxyoctyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid;(1S,3R,4R,5R)-4-(3,3-dimethoxyoctyl)-5-[(Z)-hept-2-enyl]cyclopentane-1,3-diol;6-(triphenyl-λ5-phosphanylidene)hexanoate
• SMILES: CCCC/C=C\C[C@@H]1[C@@H](CCC(CCCCC)(OC)OC)[C@H](O)C[C@@H]1O.CCCCCC(CC[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O)(OC)OC.CCCCCCCC(=O)CC[C@H]1[C@H](OC(=O)c2ccccc2)CC2OC(=O)C[C@@H]21.CCCCCCCC(CC[C@H]1[C@H](O)CC2OC(O)C[C@@H]21)(OC)OC.CCCCCCCC(CC[C@H]1[C@H](OC(=O)c2ccccc2)CC2OC(=O)C[C@@H]21)(OC)OC.O=C([O-])CCCCC=P(c1ccccc1)(c1ccccc1)c1ccccc1.[K+]
• InChI: InChI=1S/C26H38O6.C24H32O5.C24H25O2P.C22H40O6.C22H42O4.C19H36O5.K/c1-4-5-6-7-11-15-26(29-2,30-3)16-14-20-21-17-24(27)31-23(21)18-22(20)32-25(28)19-12-9-8-10-13-19;1-2-3-4-5-9-12-18(25)13-14-19-20-15-23(26)28-22(20)16-21(19)29-24(27)17-10-7-6-8-11-17;25-24(26)19-11-4-12-20-27(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23;1-4-5-10-14-22(27-2,28-3)15-13-18-17(19(23)16-20(18)24)11-8-6-7-9-12-21(25)26;1-5-7-9-10-11-13-18-19(21(24)17-20(18)23)14-16-22(25-3,26-4)15-12-8-6-2;1-4-5-6-7-8-10-19(22-2,23-3)11-9-14-15-12-18(21)24-17(15)13-16(14)20;/h8-10,12-13,20-23H,4-7,11,14-18H2,1-3H3;6-8,10-11,19-22H,2-5,9,12-16H2,1H3;1-3,5-10,13-18,20H,4,11-12,19H2,(H,25,26);6,8,17-20,23-24H,4-5,7,9-16H2,1-3H3,(H,25,26);10-11,18-21,23-24H,5-9,12-17H2,1-4H3;14-18,20-21H,4-13H2,1-3H3;/q;;;;;;+1/p-1/b;;;8-6-;11-10-;;/t20-,21-,22-,23?;19-,20-,21-,22?;;17-,18-,19+,20-;18-,19-,20+,21-;14-,15-,16-,17?,18?;/m11.111./s1
• InChIKey: SHCYELWXBPXLIA-IWANSCSCSA-M
• XLogP: 22.21
• TPSA: 404.15 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 72
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2377.25
LogP ≤ 5	22.21
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol;[(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;[(3aR,4R,5R)-2-oxo-4-(3-oxodecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;(Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxyoctyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid;(1S,3R,4R,5R)-4-(3,3-dimethoxyoctyl)-5-[(Z)-hept-2-enyl]cyclopentane-1,3-diol;6-(triphenyl-λ5-phosphanylidene)hexanoate?

The IUPAC name of potassium;(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol;[(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;[(3aR,4R,5R)-2-oxo-4-(3-oxodecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;(Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxyoctyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid;(1S,3R,4R,5R)-4-(3,3-dimethoxyoctyl)-5-[(Z)-hept-2-enyl]cyclopentane-1,3-diol;6-(triphenyl-λ5-phosphanylidene)hexanoate (CID 160833613) is potassium;(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol;[(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;[(3aR,4R,5R)-2-oxo-4-(3-oxodecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;(Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxyoctyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid;(1S,3R,4R,5R)-4-(3,3-dimethoxyoctyl)-5-[(Z)-hept-2-enyl]cyclopentane-1,3-diol;6-(triphenyl-λ5-phosphanylidene)hexanoate.

What is the SMILES notation for potassium;(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol;[(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;[(3aR,4R,5R)-2-oxo-4-(3-oxodecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;(Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxyoctyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid;(1S,3R,4R,5R)-4-(3,3-dimethoxyoctyl)-5-[(Z)-hept-2-enyl]cyclopentane-1,3-diol;6-(triphenyl-λ5-phosphanylidene)hexanoate?

The canonical SMILES for potassium;(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol;[(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;[(3aR,4R,5R)-2-oxo-4-(3-oxodecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;(Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxyoctyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid;(1S,3R,4R,5R)-4-(3,3-dimethoxyoctyl)-5-[(Z)-hept-2-enyl]cyclopentane-1,3-diol;6-(triphenyl-λ5-phosphanylidene)hexanoate is CCCC/C=C\C[C@@H]1[C@@H](CCC(CCCCC)(OC)OC)[C@H](O)C[C@@H]1O.CCCCCC(CC[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O)(OC)OC.CCCCCCCC(=O)CC[C@H]1[C@H](OC(=O)c2ccccc2)CC2OC(=O)C[C@@H]21.CCCCCCCC(CC[C@H]1[C@H](O)CC2OC(O)C[C@@H]21)(OC)OC.CCCCCCCC(CC[C@H]1[C@H](OC(=O)c2ccccc2)CC2OC(=O)C[C@@H]21)(OC)OC.O=C([O-])CCCCC=P(c1ccccc1)(c1ccccc1)c1ccccc1.[K+].

What is the InChIKey of potassium;(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol;[(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;[(3aR,4R,5R)-2-oxo-4-(3-oxodecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;(Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxyoctyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid;(1S,3R,4R,5R)-4-(3,3-dimethoxyoctyl)-5-[(Z)-hept-2-enyl]cyclopentane-1,3-diol;6-(triphenyl-λ5-phosphanylidene)hexanoate?

The InChIKey is SHCYELWXBPXLIA-IWANSCSCSA-M. The full InChI is InChI=1S/C26H38O6.C24H32O5.C24H25O2P.C22H40O6.C22H42O4.C19H36O5.K/c1-4-5-6-7-11-15-26(29-2,30-3)16-14-20-21-17-24(27)31-23(21)18-22(20)32-25(28)19-12-9-8-10-13-19;1-2-3-4-5-9-12-18(25)13-14-19-20-15-23(26)28-22(20)16-21(19)29-24(27)17-10-7-6-8-11-17;25-24(26)19-11-4-12-20-27(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23;1-4-5-10-14-22(27-2,28-3)15-13-18-17(19(23)16-20(18)24)11-8-6-7-9-12-21(25)26;1-5-7-9-10-11-13-18-19(21(24)17-20(18)23)14-16-22(25-3,26-4)15-12-8-6-2;1-4-5-6-7-8-10-19(22-2,23-3)11-9-14-15-12-18(21)24-17(15)13-16(14)20;/h8-10,12-13,20-23H,4-7,11,14-18H2,1-3H3;6-8,10-11,19-22H,2-5,9,12-16H2,1H3;1-3,5-10,13-18,20H,4,11-12,19H2,(H,25,26);6,8,17-20,23-24H,4-5,7,9-16H2,1-3H3,(H,25,26);10-11,18-21,23-24H,5-9,12-17H2,1-4H3;14-18,20-21H,4-13H2,1-3H3;/q;;;;;;+1/p-1/b;;;8-6-;11-10-;;/t20-,21-,22-,23?;19-,20-,21-,22?;;17-,18-,19+,20-;18-,19-,20+,21-;14-,15-,16-,17?,18?;/m11.111./s1.

What are the key properties of potassium;(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol;[(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;[(3aR,4R,5R)-2-oxo-4-(3-oxodecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;(Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxyoctyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid;(1S,3R,4R,5R)-4-(3,3-dimethoxyoctyl)-5-[(Z)-hept-2-enyl]cyclopentane-1,3-diol;6-(triphenyl-λ5-phosphanylidene)hexanoate?

potassium;(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol;[(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;[(3aR,4R,5R)-2-oxo-4-(3-oxodecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;(Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxyoctyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid;(1S,3R,4R,5R)-4-(3,3-dimethoxyoctyl)-5-[(Z)-hept-2-enyl]cyclopentane-1,3-diol;6-(triphenyl-λ5-phosphanylidene)hexanoate has a molecular weight of 2377.25 g/mol, XLogP of 22.21, 72 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol;[(3aR,4R,5R)-4-(3,3-dimethoxydecyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;[(3aR,4R,5R)-2-oxo-4-(3-oxodecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate;(Z)-7-[(1R,2R,3R,5S)-2-(3,3-dimethoxyoctyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid;(1S,3R,4R,5R)-4-(3,3-dimethoxyoctyl)-5-[(Z)-hept-2-enyl]cyclopentane-1,3-diol;6-(triphenyl-λ5-phosphanylidene)hexanoate is sourced from PubChem (CID 160833613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).