[(6S)-6-[(7aR)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-3,10-bis(triethylsilyloxy)undecan-2-yl]oxy-triethylsilane

C62H124O5Si5 — CID 91555050

About [(6S)-6-[(7aR)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-3,10-bis(triethylsilyloxy)undecan-2-yl]oxy-triethylsilane

[(6S)-6-[(7aR)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-3,10-bis(triethylsilyloxy)undecan-2-yl]oxy-triethylsilane (PubChem CID 91555050) has the molecular formula C62H124O5Si5 and a molecular weight of 1090.10 g/mol. Its IUPAC name is [(6S)-6-[(7aR)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-3,10-bis(triethylsilyloxy)undecan-2-yl]oxy-triethylsilane.

Molecular Properties

• Compound Name: [(6S)-6-[(7aR)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-3,10-bis(triethylsilyloxy)undecan-2-yl]oxy-triethylsilane
• PubChem CID: 91555050
• Molecular Formula: C62H124O5Si5
• Molecular Weight: 1090.10 g/mol
• Exact Mass: 1088.83
• IUPAC Name: [(6S)-6-[(7aR)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-3,10-bis(triethylsilyloxy)undecan-2-yl]oxy-triethylsilane
• SMILES: C=C1C(=CC=C2CCC[C@@]3(C)C2CCC3[C@@H](CCCC(C)(C)O[Si](CC)(CC)CC)CCC(O[Si](CC)(CC)CC)C(C)(C)O[Si](CC)(CC)CC)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C62H124O5Si5/c1-26-70(27-2,28-3)65-57(61(19,20)67-72(32-7,33-8)34-9)44-41-51(37-35-45-60(17,18)66-71(29-4,30-5)31-6)55-43-42-54-50(38-36-46-62(54,55)21)39-40-52-47-53(63-68(22,23)58(11,12)13)48-56(49(52)10)64-69(24,25)59(14,15)16/h39-40,51,53-57H,10,26-38,41-48H2,1-9,11-25H3/t51-,53+,54?,55?,56-,57?,62-/m0/s1
• InChIKey: IWKQAFXRESQGQF-RASFOXBGSA-N
• XLogP: 20.74
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 29
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1090.10
LogP ≤ 5	20.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(6S)-6-[(7aR)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-3,10-bis(triethylsilyloxy)undecan-2-yl]oxy-triethylsilane?

The IUPAC name of [(6S)-6-[(7aR)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-3,10-bis(triethylsilyloxy)undecan-2-yl]oxy-triethylsilane (CID 91555050) is [(6S)-6-[(7aR)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-3,10-bis(triethylsilyloxy)undecan-2-yl]oxy-triethylsilane.

What is the SMILES notation for [(6S)-6-[(7aR)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-3,10-bis(triethylsilyloxy)undecan-2-yl]oxy-triethylsilane?

The canonical SMILES for [(6S)-6-[(7aR)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-3,10-bis(triethylsilyloxy)undecan-2-yl]oxy-triethylsilane is C=C1C(=CC=C2CCC[C@@]3(C)C2CCC3[C@@H](CCCC(C)(C)O[Si](CC)(CC)CC)CCC(O[Si](CC)(CC)CC)C(C)(C)O[Si](CC)(CC)CC)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of [(6S)-6-[(7aR)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-3,10-bis(triethylsilyloxy)undecan-2-yl]oxy-triethylsilane?

The InChIKey is IWKQAFXRESQGQF-RASFOXBGSA-N. The full InChI is InChI=1S/C62H124O5Si5/c1-26-70(27-2,28-3)65-57(61(19,20)67-72(32-7,33-8)34-9)44-41-51(37-35-45-60(17,18)66-71(29-4,30-5)31-6)55-43-42-54-50(38-36-46-62(54,55)21)39-40-52-47-53(63-68(22,23)58(11,12)13)48-56(49(52)10)64-69(24,25)59(14,15)16/h39-40,51,53-57H,10,26-38,41-48H2,1-9,11-25H3/t51-,53+,54?,55?,56-,57?,62-/m0/s1.

What are the key properties of [(6S)-6-[(7aR)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-3,10-bis(triethylsilyloxy)undecan-2-yl]oxy-triethylsilane?

[(6S)-6-[(7aR)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-3,10-bis(triethylsilyloxy)undecan-2-yl]oxy-triethylsilane has a molecular weight of 1090.10 g/mol, XLogP of 20.74, 29 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(6S)-6-[(7aR)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-3,10-bis(triethylsilyloxy)undecan-2-yl]oxy-triethylsilane is sourced from PubChem (CID 91555050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).