[3-[2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane

C36H66O2Si2 — CID 91376278

About [3-[2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane

[3-[2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane (PubChem CID 91376278) has the molecular formula C36H66O2Si2 and a molecular weight of 587.09 g/mol. Its IUPAC name is [3-[2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [3-[2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 91376278
• Molecular Formula: C36H66O2Si2
• Molecular Weight: 587.09 g/mol
• Exact Mass: 586.46
• IUPAC Name: [3-[2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
• SMILES: C=C1CCC(O[Si](C)(C)C(C)(C)C)CC1=CC=C1CCC[C@]2(C)[C@@H]([C@@H](C)CCCC(C)(C)O[Si](C)(C)C)CC[C@@H]12
• InChI: InChI=1S/C36H66O2Si2/c1-27-18-21-31(37-40(12,13)34(3,4)5)26-30(27)20-19-29-17-15-25-36(8)32(22-23-33(29)36)28(2)16-14-24-35(6,7)38-39(9,10)11/h19-20,28,31-33H,1,14-18,21-26H2,2-13H3/t28-,31?,32+,33-,36+/m0/s1
• InChIKey: GASSUGDFJYPPKQ-OPCXLLOFSA-N
• XLogP: 11.62
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.09
LogP ≤ 5	11.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [3-[2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane (CID 91376278) is [3-[2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [3-[2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [3-[2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane is C=C1CCC(O[Si](C)(C)C(C)(C)C)CC1=CC=C1CCC[C@]2(C)[C@@H]([C@@H](C)CCCC(C)(C)O[Si](C)(C)C)CC[C@@H]12.

What is the InChIKey of [3-[2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane?

The InChIKey is GASSUGDFJYPPKQ-OPCXLLOFSA-N. The full InChI is InChI=1S/C36H66O2Si2/c1-27-18-21-31(37-40(12,13)34(3,4)5)26-30(27)20-19-29-17-15-25-36(8)32(22-23-33(29)36)28(2)16-14-24-35(6,7)38-39(9,10)11/h19-20,28,31-33H,1,14-18,21-26H2,2-13H3/t28-,31?,32+,33-,36+/m0/s1.

What are the key properties of [3-[2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane?

[3-[2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane has a molecular weight of 587.09 g/mol, XLogP of 11.62, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 91376278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).