(2R)-2-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(4S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]spiro[2.5]octan-6-ylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol

C35H64O3Si2 — CID 88571673

About (2R)-2-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(4S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]spiro[2.5]octan-6-ylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol

(2R)-2-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(4S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]spiro[2.5]octan-6-ylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol (PubChem CID 88571673) has the molecular formula C35H64O3Si2 and a molecular weight of 589.07 g/mol. Its IUPAC name is (2R)-2-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(4S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]spiro[2.5]octan-6-ylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol.

Molecular Properties

• Compound Name: (2R)-2-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(4S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]spiro[2.5]octan-6-ylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol
• PubChem CID: 88571673
• Molecular Formula: C35H64O3Si2
• Molecular Weight: 589.07 g/mol
• Exact Mass: 588.44
• IUPAC Name: (2R)-2-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(4S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]spiro[2.5]octan-6-ylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol
• SMILES: C[C@@H](CO)[C@H]1CC[C@H]2/C(=C/C=C3\C[C@@H](CC(C)(C)[Si](C)(C)O)C4(CC4)[C@H](O[Si](C)(C)C(C)(C)C)C3)CCC[C@]12C
• InChI: InChI=1S/C35H64O3Si2/c1-25(24-36)29-16-17-30-27(13-12-18-34(29,30)7)15-14-26-21-28(23-33(5,6)39(8,9)37)35(19-20-35)31(22-26)38-40(10,11)32(2,3)4/h14-15,25,28-31,36-37H,12-13,16-24H2,1-11H3/b26-14+,27-15+/t25-,28-,29+,30-,31+,34+/m0/s1
• InChIKey: RGTDWKHPPUIPLY-PBXOWUFOSA-N
• XLogP: 9.63
• TPSA: 49.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.07
LogP ≤ 5	9.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(4S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]spiro[2.5]octan-6-ylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol?

The IUPAC name of (2R)-2-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(4S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]spiro[2.5]octan-6-ylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol (CID 88571673) is (2R)-2-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(4S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]spiro[2.5]octan-6-ylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol.

What is the SMILES notation for (2R)-2-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(4S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]spiro[2.5]octan-6-ylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol?

The canonical SMILES for (2R)-2-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(4S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]spiro[2.5]octan-6-ylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol is C[C@@H](CO)[C@H]1CC[C@H]2/C(=C/C=C3\C[C@@H](CC(C)(C)[Si](C)(C)O)C4(CC4)[C@H](O[Si](C)(C)C(C)(C)C)C3)CCC[C@]12C.

What is the InChIKey of (2R)-2-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(4S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]spiro[2.5]octan-6-ylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol?

The InChIKey is RGTDWKHPPUIPLY-PBXOWUFOSA-N. The full InChI is InChI=1S/C35H64O3Si2/c1-25(24-36)29-16-17-30-27(13-12-18-34(29,30)7)15-14-26-21-28(23-33(5,6)39(8,9)37)35(19-20-35)31(22-26)38-40(10,11)32(2,3)4/h14-15,25,28-31,36-37H,12-13,16-24H2,1-11H3/b26-14+,27-15+/t25-,28-,29+,30-,31+,34+/m0/s1.

What are the key properties of (2R)-2-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(4S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]spiro[2.5]octan-6-ylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol?

(2R)-2-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(4S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]spiro[2.5]octan-6-ylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol has a molecular weight of 589.07 g/mol, XLogP of 9.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(4S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]spiro[2.5]octan-6-ylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol is sourced from PubChem (CID 88571673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).