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

C58H96O5Si3 — CID 162404926

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

(6R)-6-[(3aS,4E,7aR)-4-[(2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol (PubChem CID 162404926) has the molecular formula C58H96O5Si3 and a molecular weight of 957.66 g/mol. Its IUPAC name is (6R)-6-[(3aS,4E,7aR)-4-[(2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol.

Molecular Properties

• Compound Name: (6R)-6-[(3aS,4E,7aR)-4-[(2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol
• PubChem CID: 162404926
• Molecular Formula: C58H96O5Si3
• Molecular Weight: 957.66 g/mol
• Exact Mass: 956.66
• IUPAC Name: (6R)-6-[(3aS,4E,7aR)-4-[(2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol
• SMILES: C=C1/C(=C\C=C2/CCC[C@]3(C)C([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C58H96O5Si3/c1-43(28-25-38-57(12,13)59)49-36-37-50-45(29-26-39-58(49,50)14)34-35-46-42-51(62-64(15,16)54(3,4)5)53(52(44(46)2)63-65(17,18)55(6,7)8)60-40-27-41-61-66(56(9,10)11,47-30-21-19-22-31-47)48-32-23-20-24-33-48/h19-24,30-35,43,49-53,59H,2,25-29,36-42H2,1,3-18H3/b45-34+,46-35-/t43-,49?,50+,51-,52-,53-,58-/m1/s1
• InChIKey: RMVDDCBFOMOIMG-KBIUIQDVSA-N
• XLogP: 14.73
• TPSA: 57.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 18
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	957.66
LogP ≤ 5	14.73
H-Bond Donors ≤ 5	1
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'}

Frequently Asked Questions

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

The IUPAC name of (6R)-6-[(3aS,4E,7aR)-4-[(2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol (CID 162404926) is (6R)-6-[(3aS,4E,7aR)-4-[(2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol.

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

The canonical SMILES for (6R)-6-[(3aS,4E,7aR)-4-[(2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol is C=C1/C(=C\C=C2/CCC[C@]3(C)C([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.

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

The InChIKey is RMVDDCBFOMOIMG-KBIUIQDVSA-N. The full InChI is InChI=1S/C58H96O5Si3/c1-43(28-25-38-57(12,13)59)49-36-37-50-45(29-26-39-58(49,50)14)34-35-46-42-51(62-64(15,16)54(3,4)5)53(52(44(46)2)63-65(17,18)55(6,7)8)60-40-27-41-61-66(56(9,10)11,47-30-21-19-22-31-47)48-32-23-20-24-33-48/h19-24,30-35,43,49-53,59H,2,25-29,36-42H2,1,3-18H3/b45-34+,46-35-/t43-,49?,50+,51-,52-,53-,58-/m1/s1.

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

(6R)-6-[(3aS,4E,7aR)-4-[(2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol has a molecular weight of 957.66 g/mol, XLogP of 14.73, 18 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-6-[(3aS,4E,7aR)-4-[(2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol is sourced from PubChem (CID 162404926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).