2-[[(1S,2S,3aR,9aR)-2-hydroxy-1-[(3R)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid;(1S,2S,3aR,9aR)-1-[(3R)-3-hydroxyoctyl]-5-methyl-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-2-ol;(1R,2S,3aS,9aR)-5-methoxy-2-methyl-1-[(3S)-3-methyloctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene;(1S,2S,3aR,9aR)-5-methoxy-1-[(3R)-3-methyloctyl]-2-phenylmethoxy-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene;(3aR,9aR)-5-methoxy-1-[(3S)-3-(oxan-2-yloxy)octyl]-1,3,3a,4,9,9a-hexahydrocyclopenta[b]naphthalen-2-one;(3aR,9R)-9-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-1-[(3S)-3-(oxan-2-yloxy)octyl]-3,3a,4,9-tetrahydrocyclopenta[b]naphthalen-2-one;2-[(6S,11R)-11-(3-methoxy-2-prop-2-enylphenyl)dodec-9-yn-6-yl]oxyoxane;(6S)-1-(3-methoxy-2-prop-2-enylphenyl)-6-(oxan-2-yloxy)undec-2-yn-1-one

C212H316O26Si — CID 162036356

About 2-[[(1S,2S,3aR,9aR)-2-hydroxy-1-[(3R)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid;(1S,2S,3aR,9aR)-1-[(3R)-3-hydroxyoctyl]-5-methyl-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-2-ol;(1R,2S,3aS,9aR)-5-methoxy-2-methyl-1-[(3S)-3-methyloctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene;(1S,2S,3aR,9aR)-5-methoxy-1-[(3R)-3-methyloctyl]-2-phenylmethoxy-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene;(3aR,9aR)-5-methoxy-1-[(3S)-3-(oxan-2-yloxy)octyl]-1,3,3a,4,9,9a-hexahydrocyclopenta[b]naphthalen-2-one;(3aR,9R)-9-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-1-[(3S)-3-(oxan-2-yloxy)octyl]-3,3a,4,9-tetrahydrocyclopenta[b]naphthalen-2-one;2-[(6S,11R)-11-(3-methoxy-2-prop-2-enylphenyl)dodec-9-yn-6-yl]oxyoxane;(6S)-1-(3-methoxy-2-prop-2-enylphenyl)-6-(oxan-2-yloxy)undec-2-yn-1-one

2-[[(1S,2S,3aR,9aR)-2-hydroxy-1-[(3R)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid;(1S,2S,3aR,9aR)-1-[(3R)-3-hydroxyoctyl]-5-methyl-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-2-ol;(1R,2S,3aS,9aR)-5-methoxy-2-methyl-1-[(3S)-3-methyloctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene;(1S,2S,3aR,9aR)-5-methoxy-1-[(3R)-3-methyloctyl]-2-phenylmethoxy-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene;(3aR,9aR)-5-methoxy-1-[(3S)-3-(oxan-2-yloxy)octyl]-1,3,3a,4,9,9a-hexahydrocyclopenta[b]naphthalen-2-one;(3aR,9R)-9-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-1-[(3S)-3-(oxan-2-yloxy)octyl]-3,3a,4,9-tetrahydrocyclopenta[b]naphthalen-2-one;2-[(6S,11R)-11-(3-methoxy-2-prop-2-enylphenyl)dodec-9-yn-6-yl]oxyoxane;(6S)-1-(3-methoxy-2-prop-2-enylphenyl)-6-(oxan-2-yloxy)undec-2-yn-1-one (PubChem CID 162036356) has the molecular formula C212H316O26Si and a molecular weight of 3308.92 g/mol. Its IUPAC name is 2-[[(1S,2S,3aR,9aR)-2-hydroxy-1-[(3R)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid;(1S,2S,3aR,9aR)-1-[(3R)-3-hydroxyoctyl]-5-methyl-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-2-ol;(1R,2S,3aS,9aR)-5-methoxy-2-methyl-1-[(3S)-3-methyloctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene;(1S,2S,3aR,9aR)-5-methoxy-1-[(3R)-3-methyloctyl]-2-phenylmethoxy-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene;(3aR,9aR)-5-methoxy-1-[(3S)-3-(oxan-2-yloxy)octyl]-1,3,3a,4,9,9a-hexahydrocyclopenta[b]naphthalen-2-one;(3aR,9R)-9-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-1-[(3S)-3-(oxan-2-yloxy)octyl]-3,3a,4,9-tetrahydrocyclopenta[b]naphthalen-2-one;2-[(6S,11R)-11-(3-methoxy-2-prop-2-enylphenyl)dodec-9-yn-6-yl]oxyoxane;(6S)-1-(3-methoxy-2-prop-2-enylphenyl)-6-(oxan-2-yloxy)undec-2-yn-1-one.

Molecular Properties

• Compound Name: 2-[[(1S,2S,3aR,9aR)-2-hydroxy-1-[(3R)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid;(1S,2S,3aR,9aR)-1-[(3R)-3-hydroxyoctyl]-5-methyl-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-2-ol;(1R,2S,3aS,9aR)-5-methoxy-2-methyl-1-[(3S)-3-methyloctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene;(1S,2S,3aR,9aR)-5-methoxy-1-[(3R)-3-methyloctyl]-2-phenylmethoxy-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene;(3aR,9aR)-5-methoxy-1-[(3S)-3-(oxan-2-yloxy)octyl]-1,3,3a,4,9,9a-hexahydrocyclopenta[b]naphthalen-2-one;(3aR,9R)-9-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-1-[(3S)-3-(oxan-2-yloxy)octyl]-3,3a,4,9-tetrahydrocyclopenta[b]naphthalen-2-one;2-[(6S,11R)-11-(3-methoxy-2-prop-2-enylphenyl)dodec-9-yn-6-yl]oxyoxane;(6S)-1-(3-methoxy-2-prop-2-enylphenyl)-6-(oxan-2-yloxy)undec-2-yn-1-one
• PubChem CID: 162036356
• Molecular Formula: C212H316O26Si
• Molecular Weight: 3308.92 g/mol
• Exact Mass: 3306.32
• IUPAC Name: 2-[[(1S,2S,3aR,9aR)-2-hydroxy-1-[(3R)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid;(1S,2S,3aR,9aR)-1-[(3R)-3-hydroxyoctyl]-5-methyl-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-2-ol;(1R,2S,3aS,9aR)-5-methoxy-2-methyl-1-[(3S)-3-methyloctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene;(1S,2S,3aR,9aR)-5-methoxy-1-[(3R)-3-methyloctyl]-2-phenylmethoxy-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene;(3aR,9aR)-5-methoxy-1-[(3S)-3-(oxan-2-yloxy)octyl]-1,3,3a,4,9,9a-hexahydrocyclopenta[b]naphthalen-2-one;(3aR,9R)-9-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-1-[(3S)-3-(oxan-2-yloxy)octyl]-3,3a,4,9-tetrahydrocyclopenta[b]naphthalen-2-one;2-[(6S,11R)-11-(3-methoxy-2-prop-2-enylphenyl)dodec-9-yn-6-yl]oxyoxane;(6S)-1-(3-methoxy-2-prop-2-enylphenyl)-6-(oxan-2-yloxy)undec-2-yn-1-one
• SMILES: C=CCc1c(OC)cccc1C(=O)C#CCC[C@H](CCCCC)OC1CCCCO1.C=CCc1c(OC)cccc1[C@H](C)C#CCC[C@H](CCCCC)OC1CCCCO1.CCCCC[C@@H](C)CC[C@H]1[C@@H]2Cc3cccc(OC)c3C[C@@H]2C[C@@H]1OCc1ccccc1.CCCCC[C@@H](CCC1=C2[C@@H](CC1=O)Cc1c(OC)cccc1[C@H]2O[Si](C)(C)C(C)(C)C)OC1CCCCO1.CCCCC[C@@H](CCC1C(=O)C[C@H]2Cc3c(cccc3OC)C[C@@H]12)OC1CCCCO1.CCCCC[C@@H](O)CC[C@H]1[C@@H]2Cc3cccc(C)c3C[C@@H]2C[C@@H]1O.CCCCC[C@@H](O)CC[C@H]1[C@@H]2Cc3cccc(OCC(=O)O)c3C[C@@H]2C[C@@H]1O.CCCCC[C@H](C)CC[C@H]1[C@@H]2Cc3cccc(OC)c3C[C@@H]2C[C@@H]1C
• InChI: InChI=1S/C33H52O5Si.C30H42O2.C27H40O4.C27H40O3.C26H36O4.C24H38O.C23H34O5.C22H34O2/c1-8-9-10-14-24(37-30-17-11-12-20-36-30)18-19-26-28(34)22-23-21-27-25(15-13-16-29(27)35-5)32(31(23)26)38-39(6,7)33(2,3)4;1-4-5-7-11-22(2)16-17-26-27-18-24-14-10-15-29(31-3)28(24)19-25(27)20-30(26)32-21-23-12-8-6-9-13-23;1-3-4-5-10-21(31-27-12-6-7-15-30-27)13-14-22-23-16-19-9-8-11-26(29-2)24(19)17-20(23)18-25(22)28;1-5-7-8-16-23(30-27-20-11-12-21-29-27)17-10-9-15-22(3)24-18-13-19-26(28-4)25(24)14-6-2;1-4-6-7-14-21(30-26-19-10-11-20-29-26)15-8-9-17-24(27)22-16-12-18-25(28-3)23(22)13-5-2;1-5-6-7-9-17(2)12-13-21-18(3)14-20-16-23-19(15-22(20)21)10-8-11-24(23)25-4;1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25;1-3-4-5-9-18(23)10-11-19-21-12-16-8-6-7-15(2)20(16)13-17(21)14-22(19)24/h13,15-16,23-24,30,32H,8-12,14,17-22H2,1-7H3;6,8-10,12-15,22,25-27,30H,4-5,7,11,16-21H2,1-3H3;8-9,11,20-23,27H,3-7,10,12-18H2,1-2H3;6,13,18-19,22-23,27H,2,5,7-8,10-12,14,16-17,20-21H2,1,3-4H3;5,12,16,18,21,26H,2,4,6-8,10-11,13-15,19-20H2,1,3H3;8,10-11,17-18,20-22H,5-7,9,12-16H2,1-4H3;5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27);6-8,17-19,21-24H,3-5,9-14H2,1-2H3/t23-,24+,30?,32-;22-,25-,26+,27-,30+;20-,21+,22?,23-,27?;22-,23+,27?;21-,26?;17-,18-,20-,21+,22+;16-,17-,18+,19-,21+;17-,18-,19+,21-,22+/m11110011/s1
• InChIKey: YWRUYBMMJOWWPJ-GWWWVKSLSA-N
• XLogP: 49.36
• TPSA: 326.34 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 82
• Heavy Atoms: 239
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3308.92
LogP ≤ 5	49.36
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,2S,3aR,9aR)-2-hydroxy-1-[(3R)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid;(1S,2S,3aR,9aR)-1-[(3R)-3-hydroxyoctyl]-5-methyl-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-2-ol;(1R,2S,3aS,9aR)-5-methoxy-2-methyl-1-[(3S)-3-methyloctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene;(1S,2S,3aR,9aR)-5-methoxy-1-[(3R)-3-methyloctyl]-2-phenylmethoxy-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene;(3aR,9aR)-5-methoxy-1-[(3S)-3-(oxan-2-yloxy)octyl]-1,3,3a,4,9,9a-hexahydrocyclopenta[b]naphthalen-2-one;(3aR,9R)-9-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-1-[(3S)-3-(oxan-2-yloxy)octyl]-3,3a,4,9-tetrahydrocyclopenta[b]naphthalen-2-one;2-[(6S,11R)-11-(3-methoxy-2-prop-2-enylphenyl)dodec-9-yn-6-yl]oxyoxane;(6S)-1-(3-methoxy-2-prop-2-enylphenyl)-6-(oxan-2-yloxy)undec-2-yn-1-one?

The IUPAC name of 2-[[(1S,2S,3aR,9aR)-2-hydroxy-1-[(3R)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid;(1S,2S,3aR,9aR)-1-[(3R)-3-hydroxyoctyl]-5-methyl-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-2-ol;(1R,2S,3aS,9aR)-5-methoxy-2-methyl-1-[(3S)-3-methyloctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene;(1S,2S,3aR,9aR)-5-methoxy-1-[(3R)-3-methyloctyl]-2-phenylmethoxy-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene;(3aR,9aR)-5-methoxy-1-[(3S)-3-(oxan-2-yloxy)octyl]-1,3,3a,4,9,9a-hexahydrocyclopenta[b]naphthalen-2-one;(3aR,9R)-9-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-1-[(3S)-3-(oxan-2-yloxy)octyl]-3,3a,4,9-tetrahydrocyclopenta[b]naphthalen-2-one;2-[(6S,11R)-11-(3-methoxy-2-prop-2-enylphenyl)dodec-9-yn-6-yl]oxyoxane;(6S)-1-(3-methoxy-2-prop-2-enylphenyl)-6-(oxan-2-yloxy)undec-2-yn-1-one (CID 162036356) is 2-[[(1S,2S,3aR,9aR)-2-hydroxy-1-[(3R)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid;(1S,2S,3aR,9aR)-1-[(3R)-3-hydroxyoctyl]-5-methyl-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-2-ol;(1R,2S,3aS,9aR)-5-methoxy-2-methyl-1-[(3S)-3-methyloctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene;(1S,2S,3aR,9aR)-5-methoxy-1-[(3R)-3-methyloctyl]-2-phenylmethoxy-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene;(3aR,9aR)-5-methoxy-1-[(3S)-3-(oxan-2-yloxy)octyl]-1,3,3a,4,9,9a-hexahydrocyclopenta[b]naphthalen-2-one;(3aR,9R)-9-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-1-[(3S)-3-(oxan-2-yloxy)octyl]-3,3a,4,9-tetrahydrocyclopenta[b]naphthalen-2-one;2-[(6S,11R)-11-(3-methoxy-2-prop-2-enylphenyl)dodec-9-yn-6-yl]oxyoxane;(6S)-1-(3-methoxy-2-prop-2-enylphenyl)-6-(oxan-2-yloxy)undec-2-yn-1-one.

What is the SMILES notation for 2-[[(1S,2S,3aR,9aR)-2-hydroxy-1-[(3R)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid;(1S,2S,3aR,9aR)-1-[(3R)-3-hydroxyoctyl]-5-methyl-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-2-ol;(1R,2S,3aS,9aR)-5-methoxy-2-methyl-1-[(3S)-3-methyloctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene;(1S,2S,3aR,9aR)-5-methoxy-1-[(3R)-3-methyloctyl]-2-phenylmethoxy-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene;(3aR,9aR)-5-methoxy-1-[(3S)-3-(oxan-2-yloxy)octyl]-1,3,3a,4,9,9a-hexahydrocyclopenta[b]naphthalen-2-one;(3aR,9R)-9-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-1-[(3S)-3-(oxan-2-yloxy)octyl]-3,3a,4,9-tetrahydrocyclopenta[b]naphthalen-2-one;2-[(6S,11R)-11-(3-methoxy-2-prop-2-enylphenyl)dodec-9-yn-6-yl]oxyoxane;(6S)-1-(3-methoxy-2-prop-2-enylphenyl)-6-(oxan-2-yloxy)undec-2-yn-1-one?

The canonical SMILES for 2-[[(1S,2S,3aR,9aR)-2-hydroxy-1-[(3R)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid;(1S,2S,3aR,9aR)-1-[(3R)-3-hydroxyoctyl]-5-methyl-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-2-ol;(1R,2S,3aS,9aR)-5-methoxy-2-methyl-1-[(3S)-3-methyloctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene;(1S,2S,3aR,9aR)-5-methoxy-1-[(3R)-3-methyloctyl]-2-phenylmethoxy-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene;(3aR,9aR)-5-methoxy-1-[(3S)-3-(oxan-2-yloxy)octyl]-1,3,3a,4,9,9a-hexahydrocyclopenta[b]naphthalen-2-one;(3aR,9R)-9-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-1-[(3S)-3-(oxan-2-yloxy)octyl]-3,3a,4,9-tetrahydrocyclopenta[b]naphthalen-2-one;2-[(6S,11R)-11-(3-methoxy-2-prop-2-enylphenyl)dodec-9-yn-6-yl]oxyoxane;(6S)-1-(3-methoxy-2-prop-2-enylphenyl)-6-(oxan-2-yloxy)undec-2-yn-1-one is C=CCc1c(OC)cccc1C(=O)C#CCC[C@H](CCCCC)OC1CCCCO1.C=CCc1c(OC)cccc1[C@H](C)C#CCC[C@H](CCCCC)OC1CCCCO1.CCCCC[C@@H](C)CC[C@H]1[C@@H]2Cc3cccc(OC)c3C[C@@H]2C[C@@H]1OCc1ccccc1.CCCCC[C@@H](CCC1=C2[C@@H](CC1=O)Cc1c(OC)cccc1[C@H]2O[Si](C)(C)C(C)(C)C)OC1CCCCO1.CCCCC[C@@H](CCC1C(=O)C[C@H]2Cc3c(cccc3OC)C[C@@H]12)OC1CCCCO1.CCCCC[C@@H](O)CC[C@H]1[C@@H]2Cc3cccc(C)c3C[C@@H]2C[C@@H]1O.CCCCC[C@@H](O)CC[C@H]1[C@@H]2Cc3cccc(OCC(=O)O)c3C[C@@H]2C[C@@H]1O.CCCCC[C@H](C)CC[C@H]1[C@@H]2Cc3cccc(OC)c3C[C@@H]2C[C@@H]1C.

What is the InChIKey of 2-[[(1S,2S,3aR,9aR)-2-hydroxy-1-[(3R)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid;(1S,2S,3aR,9aR)-1-[(3R)-3-hydroxyoctyl]-5-methyl-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-2-ol;(1R,2S,3aS,9aR)-5-methoxy-2-methyl-1-[(3S)-3-methyloctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene;(1S,2S,3aR,9aR)-5-methoxy-1-[(3R)-3-methyloctyl]-2-phenylmethoxy-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene;(3aR,9aR)-5-methoxy-1-[(3S)-3-(oxan-2-yloxy)octyl]-1,3,3a,4,9,9a-hexahydrocyclopenta[b]naphthalen-2-one;(3aR,9R)-9-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-1-[(3S)-3-(oxan-2-yloxy)octyl]-3,3a,4,9-tetrahydrocyclopenta[b]naphthalen-2-one;2-[(6S,11R)-11-(3-methoxy-2-prop-2-enylphenyl)dodec-9-yn-6-yl]oxyoxane;(6S)-1-(3-methoxy-2-prop-2-enylphenyl)-6-(oxan-2-yloxy)undec-2-yn-1-one?

The InChIKey is YWRUYBMMJOWWPJ-GWWWVKSLSA-N. The full InChI is InChI=1S/C33H52O5Si.C30H42O2.C27H40O4.C27H40O3.C26H36O4.C24H38O.C23H34O5.C22H34O2/c1-8-9-10-14-24(37-30-17-11-12-20-36-30)18-19-26-28(34)22-23-21-27-25(15-13-16-29(27)35-5)32(31(23)26)38-39(6,7)33(2,3)4;1-4-5-7-11-22(2)16-17-26-27-18-24-14-10-15-29(31-3)28(24)19-25(27)20-30(26)32-21-23-12-8-6-9-13-23;1-3-4-5-10-21(31-27-12-6-7-15-30-27)13-14-22-23-16-19-9-8-11-26(29-2)24(19)17-20(23)18-25(22)28;1-5-7-8-16-23(30-27-20-11-12-21-29-27)17-10-9-15-22(3)24-18-13-19-26(28-4)25(24)14-6-2;1-4-6-7-14-21(30-26-19-10-11-20-29-26)15-8-9-17-24(27)22-16-12-18-25(28-3)23(22)13-5-2;1-5-6-7-9-17(2)12-13-21-18(3)14-20-16-23-19(15-22(20)21)10-8-11-24(23)25-4;1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25;1-3-4-5-9-18(23)10-11-19-21-12-16-8-6-7-15(2)20(16)13-17(21)14-22(19)24/h13,15-16,23-24,30,32H,8-12,14,17-22H2,1-7H3;6,8-10,12-15,22,25-27,30H,4-5,7,11,16-21H2,1-3H3;8-9,11,20-23,27H,3-7,10,12-18H2,1-2H3;6,13,18-19,22-23,27H,2,5,7-8,10-12,14,16-17,20-21H2,1,3-4H3;5,12,16,18,21,26H,2,4,6-8,10-11,13-15,19-20H2,1,3H3;8,10-11,17-18,20-22H,5-7,9,12-16H2,1-4H3;5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27);6-8,17-19,21-24H,3-5,9-14H2,1-2H3/t23-,24+,30?,32-;22-,25-,26+,27-,30+;20-,21+,22?,23-,27?;22-,23+,27?;21-,26?;17-,18-,20-,21+,22+;16-,17-,18+,19-,21+;17-,18-,19+,21-,22+/m11110011/s1.

What are the key properties of 2-[[(1S,2S,3aR,9aR)-2-hydroxy-1-[(3R)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid;(1S,2S,3aR,9aR)-1-[(3R)-3-hydroxyoctyl]-5-methyl-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-2-ol;(1R,2S,3aS,9aR)-5-methoxy-2-methyl-1-[(3S)-3-methyloctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene;(1S,2S,3aR,9aR)-5-methoxy-1-[(3R)-3-methyloctyl]-2-phenylmethoxy-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene;(3aR,9aR)-5-methoxy-1-[(3S)-3-(oxan-2-yloxy)octyl]-1,3,3a,4,9,9a-hexahydrocyclopenta[b]naphthalen-2-one;(3aR,9R)-9-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-1-[(3S)-3-(oxan-2-yloxy)octyl]-3,3a,4,9-tetrahydrocyclopenta[b]naphthalen-2-one;2-[(6S,11R)-11-(3-methoxy-2-prop-2-enylphenyl)dodec-9-yn-6-yl]oxyoxane;(6S)-1-(3-methoxy-2-prop-2-enylphenyl)-6-(oxan-2-yloxy)undec-2-yn-1-one?

2-[[(1S,2S,3aR,9aR)-2-hydroxy-1-[(3R)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid;(1S,2S,3aR,9aR)-1-[(3R)-3-hydroxyoctyl]-5-methyl-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-2-ol;(1R,2S,3aS,9aR)-5-methoxy-2-methyl-1-[(3S)-3-methyloctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene;(1S,2S,3aR,9aR)-5-methoxy-1-[(3R)-3-methyloctyl]-2-phenylmethoxy-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene;(3aR,9aR)-5-methoxy-1-[(3S)-3-(oxan-2-yloxy)octyl]-1,3,3a,4,9,9a-hexahydrocyclopenta[b]naphthalen-2-one;(3aR,9R)-9-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-1-[(3S)-3-(oxan-2-yloxy)octyl]-3,3a,4,9-tetrahydrocyclopenta[b]naphthalen-2-one;2-[(6S,11R)-11-(3-methoxy-2-prop-2-enylphenyl)dodec-9-yn-6-yl]oxyoxane;(6S)-1-(3-methoxy-2-prop-2-enylphenyl)-6-(oxan-2-yloxy)undec-2-yn-1-one has a molecular weight of 3308.92 g/mol, XLogP of 49.36, 82 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(1S,2S,3aR,9aR)-2-hydroxy-1-[(3R)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid;(1S,2S,3aR,9aR)-1-[(3R)-3-hydroxyoctyl]-5-methyl-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-2-ol;(1R,2S,3aS,9aR)-5-methoxy-2-methyl-1-[(3S)-3-methyloctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene;(1S,2S,3aR,9aR)-5-methoxy-1-[(3R)-3-methyloctyl]-2-phenylmethoxy-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene;(3aR,9aR)-5-methoxy-1-[(3S)-3-(oxan-2-yloxy)octyl]-1,3,3a,4,9,9a-hexahydrocyclopenta[b]naphthalen-2-one;(3aR,9R)-9-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-1-[(3S)-3-(oxan-2-yloxy)octyl]-3,3a,4,9-tetrahydrocyclopenta[b]naphthalen-2-one;2-[(6S,11R)-11-(3-methoxy-2-prop-2-enylphenyl)dodec-9-yn-6-yl]oxyoxane;(6S)-1-(3-methoxy-2-prop-2-enylphenyl)-6-(oxan-2-yloxy)undec-2-yn-1-one is sourced from PubChem (CID 162036356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).