dimethyl-bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)silane

C30H44O10Si — CID 102398924

About dimethyl-bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)silane

dimethyl-bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)silane (PubChem CID 102398924) has the molecular formula C30H44O10Si and a molecular weight of 592.76 g/mol. Its IUPAC name is dimethyl-bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)silane.

Molecular Properties

• Compound Name: dimethyl-bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)silane
• PubChem CID: 102398924
• Molecular Formula: C30H44O10Si
• Molecular Weight: 592.76 g/mol
• Exact Mass: 592.27
• IUPAC Name: dimethyl-bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)silane
• SMILES: C[Si](C)(c1ccc2c(c1)OCCOCCOCCOCCO2)c1ccc2c(c1)OCCOCCOCCOCCO2
• InChI: InChI=1S/C30H44O10Si/c1-41(2,25-3-5-27-29(23-25)39-21-17-35-13-9-31-7-11-33-15-19-37-27)26-4-6-28-30(24-26)40-22-18-36-14-10-32-8-12-34-16-20-38-28/h3-6,23-24H,7-22H2,1-2H3
• InChIKey: MZNZKRLNMSGRRH-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 92.30 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 2
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	592.76
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dimethyl-bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)silane?

The IUPAC name of dimethyl-bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)silane (CID 102398924) is dimethyl-bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)silane.

What is the SMILES notation for dimethyl-bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)silane?

The canonical SMILES for dimethyl-bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)silane is C[Si](C)(c1ccc2c(c1)OCCOCCOCCOCCO2)c1ccc2c(c1)OCCOCCOCCOCCO2.

What is the InChIKey of dimethyl-bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)silane?

The InChIKey is MZNZKRLNMSGRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44O10Si/c1-41(2,25-3-5-27-29(23-25)39-21-17-35-13-9-31-7-11-33-15-19-37-27)26-4-6-28-30(24-26)40-22-18-36-14-10-32-8-12-34-16-20-38-28/h3-6,23-24H,7-22H2,1-2H3.

What are the key properties of dimethyl-bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)silane?

dimethyl-bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)silane has a molecular weight of 592.76 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl-bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)silane is sourced from PubChem (CID 102398924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).