but-3-enyl-[[1-[2-[2-[but-3-enyl-di(propan-2-yl)silyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy]-di(propan-2-yl)silane

C40H66O2Si2 — CID 58630463

About but-3-enyl-[[1-[2-[2-[but-3-enyl-di(propan-2-yl)silyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy]-di(propan-2-yl)silane

but-3-enyl-[[1-[2-[2-[but-3-enyl-di(propan-2-yl)silyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy]-di(propan-2-yl)silane (PubChem CID 58630463) has the molecular formula C40H66O2Si2 and a molecular weight of 635.14 g/mol. Its IUPAC name is but-3-enyl-[[1-[2-[2-[but-3-enyl-di(propan-2-yl)silyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy]-di(propan-2-yl)silane.

Molecular Properties

• Compound Name: but-3-enyl-[[1-[2-[2-[but-3-enyl-di(propan-2-yl)silyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy]-di(propan-2-yl)silane
• PubChem CID: 58630463
• Molecular Formula: C40H66O2Si2
• Molecular Weight: 635.14 g/mol
• Exact Mass: 634.46
• IUPAC Name: but-3-enyl-[[1-[2-[2-[but-3-enyl-di(propan-2-yl)silyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy]-di(propan-2-yl)silane
• SMILES: C=CCC[Si](OC1CC2C=CC=CC2C1CCC1C(O[Si](CCC=C)(C(C)C)C(C)C)CC2C=CC=CC21)(C(C)C)C(C)C
• InChI: InChI=1S/C40H66O2Si2/c1-11-13-25-43(29(3)4,30(5)6)41-39-27-33-19-15-17-21-35(33)37(39)23-24-38-36-22-18-16-20-34(36)28-40(38)42-44(31(7)8,32(9)10)26-14-12-2/h11-12,15-22,29-40H,1-2,13-14,23-28H2,3-10H3
• InChIKey: OTPRPYGJWVFFAV-UHFFFAOYSA-N
• XLogP: 11.98
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 17
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	635.14
LogP ≤ 5	11.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of but-3-enyl-[[1-[2-[2-[but-3-enyl-di(propan-2-yl)silyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy]-di(propan-2-yl)silane?

The IUPAC name of but-3-enyl-[[1-[2-[2-[but-3-enyl-di(propan-2-yl)silyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy]-di(propan-2-yl)silane (CID 58630463) is but-3-enyl-[[1-[2-[2-[but-3-enyl-di(propan-2-yl)silyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy]-di(propan-2-yl)silane.

What is the SMILES notation for but-3-enyl-[[1-[2-[2-[but-3-enyl-di(propan-2-yl)silyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy]-di(propan-2-yl)silane?

The canonical SMILES for but-3-enyl-[[1-[2-[2-[but-3-enyl-di(propan-2-yl)silyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy]-di(propan-2-yl)silane is C=CCC[Si](OC1CC2C=CC=CC2C1CCC1C(O[Si](CCC=C)(C(C)C)C(C)C)CC2C=CC=CC21)(C(C)C)C(C)C.

What is the InChIKey of but-3-enyl-[[1-[2-[2-[but-3-enyl-di(propan-2-yl)silyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy]-di(propan-2-yl)silane?

The InChIKey is OTPRPYGJWVFFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H66O2Si2/c1-11-13-25-43(29(3)4,30(5)6)41-39-27-33-19-15-17-21-35(33)37(39)23-24-38-36-22-18-16-20-34(36)28-40(38)42-44(31(7)8,32(9)10)26-14-12-2/h11-12,15-22,29-40H,1-2,13-14,23-28H2,3-10H3.

What are the key properties of but-3-enyl-[[1-[2-[2-[but-3-enyl-di(propan-2-yl)silyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy]-di(propan-2-yl)silane?

but-3-enyl-[[1-[2-[2-[but-3-enyl-di(propan-2-yl)silyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy]-di(propan-2-yl)silane has a molecular weight of 635.14 g/mol, XLogP of 11.98, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for but-3-enyl-[[1-[2-[2-[but-3-enyl-di(propan-2-yl)silyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy]-di(propan-2-yl)silane is sourced from PubChem (CID 58630463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).