[(6R)-6-[4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1,1-diethylhepta-2,4-dienoxy]-tert-butyl-dimethylsilane

C55H106O5Si4 — CID 91279993

About [(6R)-6-[4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1,1-diethylhepta-2,4-dienoxy]-tert-butyl-dimethylsilane

[(6R)-6-[4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1,1-diethylhepta-2,4-dienoxy]-tert-butyl-dimethylsilane (PubChem CID 91279993) has the molecular formula C55H106O5Si4 and a molecular weight of 959.79 g/mol. Its IUPAC name is [(6R)-6-[4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1,1-diethylhepta-2,4-dienoxy]-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(6R)-6-[4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1,1-diethylhepta-2,4-dienoxy]-tert-butyl-dimethylsilane
• PubChem CID: 91279993
• Molecular Formula: C55H106O5Si4
• Molecular Weight: 959.79 g/mol
• Exact Mass: 958.71
• IUPAC Name: [(6R)-6-[4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1,1-diethylhepta-2,4-dienoxy]-tert-butyl-dimethylsilane
• SMILES: CCC(C=CC=C[C@@H](C)C1CCC2C(=CC=C3C[C@@H](O[Si](C)(C)C(C)(C)C)C(OCCO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C3)CCCC21C)(CC)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C55H106O5Si4/c1-25-55(26-2,60-64(23,24)53(13,14)15)37-28-27-30-42(3)45-34-35-46-44(31-29-36-54(45,46)16)33-32-43-40-47(58-62(19,20)51(7,8)9)49(48(41-43)59-63(21,22)52(10,11)12)56-38-39-57-61(17,18)50(4,5)6/h27-28,30,32-33,37,42,45-49H,25-26,29,31,34-36,38-41H2,1-24H3/b30-27?,37-28?,43-32-,44-33?/t42-,45?,46?,47-,48-,49?,54?/m1/s1
• InChIKey: DRIIFIOIBVQBRB-IJEWHDCLSA-N
• XLogP: 17.37
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 18
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	959.79
LogP ≤ 5	17.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(6R)-6-[4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1,1-diethylhepta-2,4-dienoxy]-tert-butyl-dimethylsilane?

The IUPAC name of [(6R)-6-[4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1,1-diethylhepta-2,4-dienoxy]-tert-butyl-dimethylsilane (CID 91279993) is [(6R)-6-[4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1,1-diethylhepta-2,4-dienoxy]-tert-butyl-dimethylsilane.

What is the SMILES notation for [(6R)-6-[4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1,1-diethylhepta-2,4-dienoxy]-tert-butyl-dimethylsilane?

The canonical SMILES for [(6R)-6-[4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1,1-diethylhepta-2,4-dienoxy]-tert-butyl-dimethylsilane is CCC(C=CC=C[C@@H](C)C1CCC2C(=CC=C3C[C@@H](O[Si](C)(C)C(C)(C)C)C(OCCO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C3)CCCC21C)(CC)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of [(6R)-6-[4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1,1-diethylhepta-2,4-dienoxy]-tert-butyl-dimethylsilane?

The InChIKey is DRIIFIOIBVQBRB-IJEWHDCLSA-N. The full InChI is InChI=1S/C55H106O5Si4/c1-25-55(26-2,60-64(23,24)53(13,14)15)37-28-27-30-42(3)45-34-35-46-44(31-29-36-54(45,46)16)33-32-43-40-47(58-62(19,20)51(7,8)9)49(48(41-43)59-63(21,22)52(10,11)12)56-38-39-57-61(17,18)50(4,5)6/h27-28,30,32-33,37,42,45-49H,25-26,29,31,34-36,38-41H2,1-24H3/b30-27?,37-28?,43-32-,44-33?/t42-,45?,46?,47-,48-,49?,54?/m1/s1.

What are the key properties of [(6R)-6-[4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1,1-diethylhepta-2,4-dienoxy]-tert-butyl-dimethylsilane?

[(6R)-6-[4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1,1-diethylhepta-2,4-dienoxy]-tert-butyl-dimethylsilane has a molecular weight of 959.79 g/mol, XLogP of 17.37, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(6R)-6-[4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1,1-diethylhepta-2,4-dienoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 91279993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).