[(3S,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methylheptan-2-yl]oxy-tert-butyl-dimethylsilane

C60H120O6Si5 — CID 11967589

About [(3S,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methylheptan-2-yl]oxy-tert-butyl-dimethylsilane

[(3S,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methylheptan-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11967589) has the molecular formula C60H120O6Si5 and a molecular weight of 1078.04 g/mol. Its IUPAC name is [(3S,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methylheptan-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(3S,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methylheptan-2-yl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 11967589
• Molecular Formula: C60H120O6Si5
• Molecular Weight: 1078.04 g/mol
• Exact Mass: 1076.79
• IUPAC Name: [(3S,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methylheptan-2-yl]oxy-tert-butyl-dimethylsilane
• SMILES: C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)O[Si](C)(C)C(C)(C)C)CC[C@@H]23)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCCO[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C60H120O6Si5/c1-44(34-39-51(64-69(25,26)56(9,10)11)59(18,19)66-71(29,30)58(15,16)17)48-37-38-49-46(33-31-40-60(48,49)20)35-36-47-43-50(63-68(23,24)55(6,7)8)53(52(45(47)2)65-70(27,28)57(12,13)14)61-41-32-42-62-67(21,22)54(3,4)5/h35-36,44,48-53H,2,31-34,37-43H2,1,3-30H3/b46-35+,47-36-/t44-,48-,49+,50-,51+,52-,53-,60-/m1/s1
• InChIKey: ZCZGYUWLEOIWLD-SQYNNTQRSA-N
• XLogP: 19.20
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 20
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1078.04
LogP ≤ 5	19.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3S,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methylheptan-2-yl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [(3S,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methylheptan-2-yl]oxy-tert-butyl-dimethylsilane (CID 11967589) is [(3S,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methylheptan-2-yl]oxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(3S,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methylheptan-2-yl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(3S,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methylheptan-2-yl]oxy-tert-butyl-dimethylsilane is C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)O[Si](C)(C)C(C)(C)C)CC[C@@H]23)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCCO[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of [(3S,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methylheptan-2-yl]oxy-tert-butyl-dimethylsilane?

The InChIKey is ZCZGYUWLEOIWLD-SQYNNTQRSA-N. The full InChI is InChI=1S/C60H120O6Si5/c1-44(34-39-51(64-69(25,26)56(9,10)11)59(18,19)66-71(29,30)58(15,16)17)48-37-38-49-46(33-31-40-60(48,49)20)35-36-47-43-50(63-68(23,24)55(6,7)8)53(52(45(47)2)65-70(27,28)57(12,13)14)61-41-32-42-62-67(21,22)54(3,4)5/h35-36,44,48-53H,2,31-34,37-43H2,1,3-30H3/b46-35+,47-36-/t44-,48-,49+,50-,51+,52-,53-,60-/m1/s1.

What are the key properties of [(3S,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methylheptan-2-yl]oxy-tert-butyl-dimethylsilane?

[(3S,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methylheptan-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 1078.04 g/mol, XLogP of 19.20, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methylheptan-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11967589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).