28-cyclohexyl-28-methyl-13,14,27,29-tetraoxa-28-siladispiro[11.2.1115.312]nonacosane

C31H58O4Si — CID 25259779

About 28-cyclohexyl-28-methyl-13,14,27,29-tetraoxa-28-siladispiro[11.2.1115.312]nonacosane

28-cyclohexyl-28-methyl-13,14,27,29-tetraoxa-28-siladispiro[11.2.1115.312]nonacosane (PubChem CID 25259779) has the molecular formula C31H58O4Si and a molecular weight of 522.89 g/mol. Its IUPAC name is 28-cyclohexyl-28-methyl-13,14,27,29-tetraoxa-28-siladispiro[11.2.1115.312]nonacosane.

Molecular Properties

• Compound Name: 28-cyclohexyl-28-methyl-13,14,27,29-tetraoxa-28-siladispiro[11.2.1115.312]nonacosane
• PubChem CID: 25259779
• Molecular Formula: C31H58O4Si
• Molecular Weight: 522.89 g/mol
• Exact Mass: 522.41
• IUPAC Name: 28-cyclohexyl-28-methyl-13,14,27,29-tetraoxa-28-siladispiro[11.2.1115.312]nonacosane
• SMILES: C[Si]1(C2CCCCC2)OC2(CCCCCCCCCCC2)OOC2(CCCCCCCCCCC2)O1
• InChI: InChI=1S/C31H58O4Si/c1-36(29-23-17-16-18-24-29)34-30(25-19-12-8-4-2-5-9-13-20-26-30)32-33-31(35-36)27-21-14-10-6-3-7-11-15-22-28-31/h29H,2-28H2,1H3
• InChIKey: WSYODXIJCQAAMM-UHFFFAOYSA-N
• XLogP: 10.39
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.89
LogP ≤ 5	10.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 28-cyclohexyl-28-methyl-13,14,27,29-tetraoxa-28-siladispiro[11.2.1115.312]nonacosane?

The IUPAC name of 28-cyclohexyl-28-methyl-13,14,27,29-tetraoxa-28-siladispiro[11.2.1115.312]nonacosane (CID 25259779) is 28-cyclohexyl-28-methyl-13,14,27,29-tetraoxa-28-siladispiro[11.2.1115.312]nonacosane.

What is the SMILES notation for 28-cyclohexyl-28-methyl-13,14,27,29-tetraoxa-28-siladispiro[11.2.1115.312]nonacosane?

The canonical SMILES for 28-cyclohexyl-28-methyl-13,14,27,29-tetraoxa-28-siladispiro[11.2.1115.312]nonacosane is C[Si]1(C2CCCCC2)OC2(CCCCCCCCCCC2)OOC2(CCCCCCCCCCC2)O1.

What is the InChIKey of 28-cyclohexyl-28-methyl-13,14,27,29-tetraoxa-28-siladispiro[11.2.1115.312]nonacosane?

The InChIKey is WSYODXIJCQAAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H58O4Si/c1-36(29-23-17-16-18-24-29)34-30(25-19-12-8-4-2-5-9-13-20-26-30)32-33-31(35-36)27-21-14-10-6-3-7-11-15-22-28-31/h29H,2-28H2,1H3.

What are the key properties of 28-cyclohexyl-28-methyl-13,14,27,29-tetraoxa-28-siladispiro[11.2.1115.312]nonacosane?

28-cyclohexyl-28-methyl-13,14,27,29-tetraoxa-28-siladispiro[11.2.1115.312]nonacosane has a molecular weight of 522.89 g/mol, XLogP of 10.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 28-cyclohexyl-28-methyl-13,14,27,29-tetraoxa-28-siladispiro[11.2.1115.312]nonacosane is sourced from PubChem (CID 25259779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).