(3S,5Z)-5-[(2E)-2-[(7aS)-7a-methyl-1-[1-[5,5,5-trideuterio-4-hydroxy-4-(trideuteriomethyl)pentyl]cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;(7aS)-7a-methyl-1-[1-[5,5,5-trideuterio-4-(trideuteriomethyl)-4-trimethylsilyloxypentyl]cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-one;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane;oxolane

C87H139O9PSi3 — CID 161442488

About (3S,5Z)-5-[(2E)-2-[(7aS)-7a-methyl-1-[1-[5,5,5-trideuterio-4-hydroxy-4-(trideuteriomethyl)pentyl]cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;(7aS)-7a-methyl-1-[1-[5,5,5-trideuterio-4-(trideuteriomethyl)-4-trimethylsilyloxypentyl]cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-one;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane;oxolane

(3S,5Z)-5-[(2E)-2-[(7aS)-7a-methyl-1-[1-[5,5,5-trideuterio-4-hydroxy-4-(trideuteriomethyl)pentyl]cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;(7aS)-7a-methyl-1-[1-[5,5,5-trideuterio-4-(trideuteriomethyl)-4-trimethylsilyloxypentyl]cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-one;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane;oxolane (PubChem CID 161442488) has the molecular formula C87H139O9PSi3 and a molecular weight of 1456.37 g/mol. Its IUPAC name is (3S,5Z)-5-[(2E)-2-[(7aS)-7a-methyl-1-[1-[5,5,5-trideuterio-4-hydroxy-4-(trideuteriomethyl)pentyl]cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;(7aS)-7a-methyl-1-[1-[5,5,5-trideuterio-4-(trideuteriomethyl)-4-trimethylsilyloxypentyl]cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-one;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane;oxolane.

Molecular Properties

• Compound Name: (3S,5Z)-5-[(2E)-2-[(7aS)-7a-methyl-1-[1-[5,5,5-trideuterio-4-hydroxy-4-(trideuteriomethyl)pentyl]cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;(7aS)-7a-methyl-1-[1-[5,5,5-trideuterio-4-(trideuteriomethyl)-4-trimethylsilyloxypentyl]cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-one;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane;oxolane
• PubChem CID: 161442488
• Molecular Formula: C87H139O9PSi3
• Molecular Weight: 1456.37 g/mol
• Exact Mass: 1455.02
• IUPAC Name: (3S,5Z)-5-[(2E)-2-[(7aS)-7a-methyl-1-[1-[5,5,5-trideuterio-4-hydroxy-4-(trideuteriomethyl)pentyl]cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;(7aS)-7a-methyl-1-[1-[5,5,5-trideuterio-4-(trideuteriomethyl)-4-trimethylsilyloxypentyl]cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-one;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane;oxolane
• SMILES: C1CCOC1.C=C1/C(=C\CP(=O)(c2ccccc2)c2ccccc2)CC(O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C.[2H]C([2H])([2H])C(CCCC1(C2=CCC3C(=O)CCC[C@]23C)CC1)(O[Si](C)(C)C)C([2H])([2H])[2H].[2H]C([2H])([2H])C(O)(CCCC1(C2=CCC3/C(=C/C=C4/CC(O)C[C@H](O)C4=C)CCC[C@]23C)CC1)C([2H])([2H])[2H]
• InChI: InChI=1S/C33H51O3PSi2.C28H42O3.C22H38O2Si.C4H8O/c1-26-27(22-23-37(34,29-18-14-12-15-19-29)30-20-16-13-17-21-30)24-28(35-38(8,9)32(2,3)4)25-31(26)36-39(10,11)33(5,6)7;1-19-21(17-22(29)18-24(19)30)9-8-20-7-5-13-27(4)23(20)10-11-25(27)28(15-16-28)14-6-12-26(2,3)31;1-20(2,24-25(4,5)6)12-8-14-22(15-16-22)19-11-10-17-18(23)9-7-13-21(17,19)3;1-2-4-5-3-1/h12-22,28,31H,1,23-25H2,2-11H3;8-9,11,22-24,29-31H,1,5-7,10,12-18H2,2-4H3;11,17H,7-10,12-16H2,1-6H3;1-4H2/b27-22-;20-8+,21-9-;;/t28?,31-;22?,23?,24-,27-;17?,21-;/m000./s1/i;2D3,3D3;1D3,2D3
• InChIKey: VZLPGOPSQQMYMI-KQPSUVQMSA-N
• XLogP: 21.90
• TPSA: 131.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 25
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1456.37
LogP ≤ 5	21.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', '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 (3S,5Z)-5-[(2E)-2-[(7aS)-7a-methyl-1-[1-[5,5,5-trideuterio-4-hydroxy-4-(trideuteriomethyl)pentyl]cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;(7aS)-7a-methyl-1-[1-[5,5,5-trideuterio-4-(trideuteriomethyl)-4-trimethylsilyloxypentyl]cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-one;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane;oxolane?

The IUPAC name of (3S,5Z)-5-[(2E)-2-[(7aS)-7a-methyl-1-[1-[5,5,5-trideuterio-4-hydroxy-4-(trideuteriomethyl)pentyl]cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;(7aS)-7a-methyl-1-[1-[5,5,5-trideuterio-4-(trideuteriomethyl)-4-trimethylsilyloxypentyl]cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-one;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane;oxolane (CID 161442488) is (3S,5Z)-5-[(2E)-2-[(7aS)-7a-methyl-1-[1-[5,5,5-trideuterio-4-hydroxy-4-(trideuteriomethyl)pentyl]cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;(7aS)-7a-methyl-1-[1-[5,5,5-trideuterio-4-(trideuteriomethyl)-4-trimethylsilyloxypentyl]cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-one;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane;oxolane.

What is the SMILES notation for (3S,5Z)-5-[(2E)-2-[(7aS)-7a-methyl-1-[1-[5,5,5-trideuterio-4-hydroxy-4-(trideuteriomethyl)pentyl]cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;(7aS)-7a-methyl-1-[1-[5,5,5-trideuterio-4-(trideuteriomethyl)-4-trimethylsilyloxypentyl]cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-one;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane;oxolane?

The canonical SMILES for (3S,5Z)-5-[(2E)-2-[(7aS)-7a-methyl-1-[1-[5,5,5-trideuterio-4-hydroxy-4-(trideuteriomethyl)pentyl]cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;(7aS)-7a-methyl-1-[1-[5,5,5-trideuterio-4-(trideuteriomethyl)-4-trimethylsilyloxypentyl]cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-one;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane;oxolane is C1CCOC1.C=C1/C(=C\CP(=O)(c2ccccc2)c2ccccc2)CC(O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C.[2H]C([2H])([2H])C(CCCC1(C2=CCC3C(=O)CCC[C@]23C)CC1)(O[Si](C)(C)C)C([2H])([2H])[2H].[2H]C([2H])([2H])C(O)(CCCC1(C2=CCC3/C(=C/C=C4/CC(O)C[C@H](O)C4=C)CCC[C@]23C)CC1)C([2H])([2H])[2H].

What is the InChIKey of (3S,5Z)-5-[(2E)-2-[(7aS)-7a-methyl-1-[1-[5,5,5-trideuterio-4-hydroxy-4-(trideuteriomethyl)pentyl]cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;(7aS)-7a-methyl-1-[1-[5,5,5-trideuterio-4-(trideuteriomethyl)-4-trimethylsilyloxypentyl]cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-one;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane;oxolane?

The InChIKey is VZLPGOPSQQMYMI-KQPSUVQMSA-N. The full InChI is InChI=1S/C33H51O3PSi2.C28H42O3.C22H38O2Si.C4H8O/c1-26-27(22-23-37(34,29-18-14-12-15-19-29)30-20-16-13-17-21-30)24-28(35-38(8,9)32(2,3)4)25-31(26)36-39(10,11)33(5,6)7;1-19-21(17-22(29)18-24(19)30)9-8-20-7-5-13-27(4)23(20)10-11-25(27)28(15-16-28)14-6-12-26(2,3)31;1-20(2,24-25(4,5)6)12-8-14-22(15-16-22)19-11-10-17-18(23)9-7-13-21(17,19)3;1-2-4-5-3-1/h12-22,28,31H,1,23-25H2,2-11H3;8-9,11,22-24,29-31H,1,5-7,10,12-18H2,2-4H3;11,17H,7-10,12-16H2,1-6H3;1-4H2/b27-22-;20-8+,21-9-;;/t28?,31-;22?,23?,24-,27-;17?,21-;/m000./s1/i;2D3,3D3;1D3,2D3;.

What are the key properties of (3S,5Z)-5-[(2E)-2-[(7aS)-7a-methyl-1-[1-[5,5,5-trideuterio-4-hydroxy-4-(trideuteriomethyl)pentyl]cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;(7aS)-7a-methyl-1-[1-[5,5,5-trideuterio-4-(trideuteriomethyl)-4-trimethylsilyloxypentyl]cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-one;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane;oxolane?

(3S,5Z)-5-[(2E)-2-[(7aS)-7a-methyl-1-[1-[5,5,5-trideuterio-4-hydroxy-4-(trideuteriomethyl)pentyl]cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;(7aS)-7a-methyl-1-[1-[5,5,5-trideuterio-4-(trideuteriomethyl)-4-trimethylsilyloxypentyl]cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-one;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane;oxolane has a molecular weight of 1456.37 g/mol, XLogP of 21.90, 25 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,5Z)-5-[(2E)-2-[(7aS)-7a-methyl-1-[1-[5,5,5-trideuterio-4-hydroxy-4-(trideuteriomethyl)pentyl]cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;(7aS)-7a-methyl-1-[1-[5,5,5-trideuterio-4-(trideuteriomethyl)-4-trimethylsilyloxypentyl]cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-one;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane;oxolane is sourced from PubChem (CID 161442488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).