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

C34H54F6OSi — CID 59761029

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

[(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-7,7,7-trifluoro-6-methyl-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane (PubChem CID 59761029) has the molecular formula C34H54F6OSi and a molecular weight of 620.88 g/mol. Its IUPAC name is [(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-7,7,7-trifluoro-6-methyl-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-7,7,7-trifluoro-6-methyl-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 59761029
• Molecular Formula: C34H54F6OSi
• Molecular Weight: 620.88 g/mol
• Exact Mass: 620.38
• IUPAC Name: [(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-7,7,7-trifluoro-6-methyl-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
• SMILES: C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1/CCC[C@]2(C)[C@@H]([C@@H](C)CCCC(C)(C(F)(F)F)C(F)(F)F)CC[C@@H]12
• InChI: InChI=1S/C34H54F6OSi/c1-23-14-17-27(41-42(8,9)30(3,4)5)22-26(23)16-15-25-13-11-20-31(6)28(18-19-29(25)31)24(2)12-10-21-32(7,33(35,36)37)34(38,39)40/h15-16,24,27-29H,1,10-14,17-22H2,2-9H3/b25-15+,26-16+/t24-,27-,28+,29-,31+/m0/s1
• InChIKey: JNLCSTYPDSQBRB-TZKJSRMASA-N
• XLogP: 12.12
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	620.88
LogP ≤ 5	12.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-7,7,7-trifluoro-6-methyl-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane (CID 59761029) is [(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-7,7,7-trifluoro-6-methyl-6-(trifluoromethyl)heptan-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 [(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-7,7,7-trifluoro-6-methyl-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-7,7,7-trifluoro-6-methyl-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane is C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1/CCC[C@]2(C)[C@@H]([C@@H](C)CCCC(C)(C(F)(F)F)C(F)(F)F)CC[C@@H]12.

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

The InChIKey is JNLCSTYPDSQBRB-TZKJSRMASA-N. The full InChI is InChI=1S/C34H54F6OSi/c1-23-14-17-27(41-42(8,9)30(3,4)5)22-26(23)16-15-25-13-11-20-31(6)28(18-19-29(25)31)24(2)12-10-21-32(7,33(35,36)37)34(38,39)40/h15-16,24,27-29H,1,10-14,17-22H2,2-9H3/b25-15+,26-16+/t24-,27-,28+,29-,31+/m0/s1.

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

[(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-7,7,7-trifluoro-6-methyl-6-(trifluoromethyl)heptan-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 620.88 g/mol, XLogP of 12.12, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2S)-7,7,7-trifluoro-6-methyl-6-(trifluoromethyl)heptan-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 59761029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).