2-[2,4-bis[2-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]ethyl]cyclohexyl]ethyl-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane

C40H76O4Si3 — CID 58891764

About 2-[2,4-bis[2-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]ethyl]cyclohexyl]ethyl-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane

2-[2,4-bis[2-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]ethyl]cyclohexyl]ethyl-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane (PubChem CID 58891764) has the molecular formula C40H76O4Si3 and a molecular weight of 705.30 g/mol. Its IUPAC name is 2-[2,4-bis[2-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]ethyl]cyclohexyl]ethyl-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane.

Molecular Properties

• Compound Name: 2-[2,4-bis[2-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]ethyl]cyclohexyl]ethyl-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane
• PubChem CID: 58891764
• Molecular Formula: C40H76O4Si3
• Molecular Weight: 705.30 g/mol
• Exact Mass: 704.51
• IUPAC Name: 2-[2,4-bis[2-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]ethyl]cyclohexyl]ethyl-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane
• SMILES: C[Si](C)(CCC1CCC(CC[Si](C)(C)CCCOCC2CO2)C(CC[Si](C)(C)CCC2CCC3OC3C2)C1)CCC1CCC2OC2C1
• InChI: InChI=1S/C40H76O4Si3/c1-45(2,20-7-19-41-29-36-30-42-36)24-17-34-11-8-31(14-21-46(3,4)22-15-32-9-12-37-39(27-32)43-37)26-35(34)18-25-47(5,6)23-16-33-10-13-38-40(28-33)44-38/h31-40H,7-30H2,1-6H3
• InChIKey: FMQQTXGMYVXDGT-UHFFFAOYSA-N
• XLogP: 11.04
• TPSA: 46.82 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 21
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	705.30
LogP ≤ 5	11.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis[2-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]ethyl]cyclohexyl]ethyl-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane?

The IUPAC name of 2-[2,4-bis[2-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]ethyl]cyclohexyl]ethyl-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane (CID 58891764) is 2-[2,4-bis[2-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]ethyl]cyclohexyl]ethyl-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane.

What is the SMILES notation for 2-[2,4-bis[2-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]ethyl]cyclohexyl]ethyl-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane?

The canonical SMILES for 2-[2,4-bis[2-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]ethyl]cyclohexyl]ethyl-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane is C[Si](C)(CCC1CCC(CC[Si](C)(C)CCCOCC2CO2)C(CC[Si](C)(C)CCC2CCC3OC3C2)C1)CCC1CCC2OC2C1.

What is the InChIKey of 2-[2,4-bis[2-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]ethyl]cyclohexyl]ethyl-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane?

The InChIKey is FMQQTXGMYVXDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H76O4Si3/c1-45(2,20-7-19-41-29-36-30-42-36)24-17-34-11-8-31(14-21-46(3,4)22-15-32-9-12-37-39(27-32)43-37)26-35(34)18-25-47(5,6)23-16-33-10-13-38-40(28-33)44-38/h31-40H,7-30H2,1-6H3.

What are the key properties of 2-[2,4-bis[2-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]ethyl]cyclohexyl]ethyl-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane?

2-[2,4-bis[2-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]ethyl]cyclohexyl]ethyl-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane has a molecular weight of 705.30 g/mol, XLogP of 11.04, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,4-bis[2-[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]ethyl]cyclohexyl]ethyl-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane is sourced from PubChem (CID 58891764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).