[(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-5-tri(propan-2-yl)silyloxycyclohexyl]oxy-tri(propan-2-yl)silane

C47H88O4Si2 — CID 11693457

About [(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-5-tri(propan-2-yl)silyloxycyclohexyl]oxy-tri(propan-2-yl)silane

[(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-5-tri(propan-2-yl)silyloxycyclohexyl]oxy-tri(propan-2-yl)silane (PubChem CID 11693457) has the molecular formula C47H88O4Si2 and a molecular weight of 773.39 g/mol. Its IUPAC name is [(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-5-tri(propan-2-yl)silyloxycyclohexyl]oxy-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: [(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-5-tri(propan-2-yl)silyloxycyclohexyl]oxy-tri(propan-2-yl)silane
• PubChem CID: 11693457
• Molecular Formula: C47H88O4Si2
• Molecular Weight: 773.39 g/mol
• Exact Mass: 772.62
• IUPAC Name: [(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-5-tri(propan-2-yl)silyloxycyclohexyl]oxy-tri(propan-2-yl)silane
• SMILES: C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)OCOC)CC[C@@H]23)C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C47H88O4Si2/c1-32(2)52(33(3)4,34(5)6)50-42-29-41(39(14)45(30-42)51-53(35(7)8,36(9)10)37(11)12)24-23-40-22-20-28-47(17)43(25-26-44(40)47)38(13)21-19-27-46(15,16)49-31-48-18/h23-24,32-38,42-45H,14,19-22,25-31H2,1-13,15-18H3/b40-23+,41-24-/t38-,42-,43-,44+,45+,47-/m1/s1
• InChIKey: ONWPLTUSBRHFFH-APHDITFBSA-N
• XLogP: 14.73
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 19
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	773.39
LogP ≤ 5	14.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-5-tri(propan-2-yl)silyloxycyclohexyl]oxy-tri(propan-2-yl)silane?

The IUPAC name of [(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-5-tri(propan-2-yl)silyloxycyclohexyl]oxy-tri(propan-2-yl)silane (CID 11693457) is [(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-5-tri(propan-2-yl)silyloxycyclohexyl]oxy-tri(propan-2-yl)silane.

What is the SMILES notation for [(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-5-tri(propan-2-yl)silyloxycyclohexyl]oxy-tri(propan-2-yl)silane?

The canonical SMILES for [(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-5-tri(propan-2-yl)silyloxycyclohexyl]oxy-tri(propan-2-yl)silane is C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)OCOC)CC[C@@H]23)C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of [(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-5-tri(propan-2-yl)silyloxycyclohexyl]oxy-tri(propan-2-yl)silane?

The InChIKey is ONWPLTUSBRHFFH-APHDITFBSA-N. The full InChI is InChI=1S/C47H88O4Si2/c1-32(2)52(33(3)4,34(5)6)50-42-29-41(39(14)45(30-42)51-53(35(7)8,36(9)10)37(11)12)24-23-40-22-20-28-47(17)43(25-26-44(40)47)38(13)21-19-27-46(15,16)49-31-48-18/h23-24,32-38,42-45H,14,19-22,25-31H2,1-13,15-18H3/b40-23+,41-24-/t38-,42-,43-,44+,45+,47-/m1/s1.

What are the key properties of [(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-5-tri(propan-2-yl)silyloxycyclohexyl]oxy-tri(propan-2-yl)silane?

[(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-5-tri(propan-2-yl)silyloxycyclohexyl]oxy-tri(propan-2-yl)silane has a molecular weight of 773.39 g/mol, XLogP of 14.73, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-(methoxymethoxy)-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-5-tri(propan-2-yl)silyloxycyclohexyl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11693457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).