(2E)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methyl-6-triethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-[(1S,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[3.1.0]hexanyl]ethanol

C38H72O3Si2 — CID 11082734

About (2E)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methyl-6-triethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-[(1S,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[3.1.0]hexanyl]ethanol

(2E)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methyl-6-triethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-[(1S,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[3.1.0]hexanyl]ethanol (PubChem CID 11082734) has the molecular formula C38H72O3Si2 and a molecular weight of 633.16 g/mol. Its IUPAC name is (2E)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methyl-6-triethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-[(1S,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[3.1.0]hexanyl]ethanol.

Molecular Properties

• Compound Name: (2E)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methyl-6-triethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-[(1S,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[3.1.0]hexanyl]ethanol
• PubChem CID: 11082734
• Molecular Formula: C38H72O3Si2
• Molecular Weight: 633.16 g/mol
• Exact Mass: 632.50
• IUPAC Name: (2E)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methyl-6-triethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-[(1S,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[3.1.0]hexanyl]ethanol
• SMILES: CC[Si](CC)(CC)OC(C)(C)CCC[C@@H](C)[C@H]1CC[C@@H]2/C(=C/C(O)[C@@]34C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]3C4)CCC[C@@]21C
• InChI: InChI=1S/C38H72O3Si2/c1-13-43(14-2,15-3)41-36(8,9)22-16-18-28(4)32-20-21-33-29(19-17-23-37(32,33)10)24-34(39)38-26-30(38)25-31(27-38)40-42(11,12)35(5,6)7/h24,28,30-34,39H,13-23,25-27H2,1-12H3/b29-24+/t28-,30-,31+,32-,33-,34?,37-,38+/m1/s1
• InChIKey: CGFJQMZPGBBTEN-QZWZVXQTSA-N
• XLogP: 11.29
• TPSA: 38.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 14
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.16
LogP ≤ 5	11.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methyl-6-triethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-[(1S,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[3.1.0]hexanyl]ethanol?

The IUPAC name of (2E)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methyl-6-triethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-[(1S,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[3.1.0]hexanyl]ethanol (CID 11082734) is (2E)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methyl-6-triethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-[(1S,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[3.1.0]hexanyl]ethanol.

What is the SMILES notation for (2E)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methyl-6-triethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-[(1S,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[3.1.0]hexanyl]ethanol?

The canonical SMILES for (2E)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methyl-6-triethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-[(1S,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[3.1.0]hexanyl]ethanol is CC[Si](CC)(CC)OC(C)(C)CCC[C@@H](C)[C@H]1CC[C@@H]2/C(=C/C(O)[C@@]34C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]3C4)CCC[C@@]21C.

What is the InChIKey of (2E)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methyl-6-triethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-[(1S,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[3.1.0]hexanyl]ethanol?

The InChIKey is CGFJQMZPGBBTEN-QZWZVXQTSA-N. The full InChI is InChI=1S/C38H72O3Si2/c1-13-43(14-2,15-3)41-36(8,9)22-16-18-28(4)32-20-21-33-29(19-17-23-37(32,33)10)24-34(39)38-26-30(38)25-31(27-38)40-42(11,12)35(5,6)7/h24,28,30-34,39H,13-23,25-27H2,1-12H3/b29-24+/t28-,30-,31+,32-,33-,34?,37-,38+/m1/s1.

What are the key properties of (2E)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methyl-6-triethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-[(1S,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[3.1.0]hexanyl]ethanol?

(2E)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methyl-6-triethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-[(1S,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[3.1.0]hexanyl]ethanol has a molecular weight of 633.16 g/mol, XLogP of 11.29, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methyl-6-triethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-[(1S,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[3.1.0]hexanyl]ethanol is sourced from PubChem (CID 11082734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).