[3,4-dimethyl-1-(7-oxabicyclo[4.1.0]heptan-3-yl)-4-trimethylsilyloxypentan-3-yl]-trimethylsilane;[2,3-dimethyl-6-(oxiran-2-ylmethoxy)-3-trimethylsilylhexan-2-yl]oxy-trimethylsilane

C36H78O5Si4 — CID 91582955

About [3,4-dimethyl-1-(7-oxabicyclo[4.1.0]heptan-3-yl)-4-trimethylsilyloxypentan-3-yl]-trimethylsilane;[2,3-dimethyl-6-(oxiran-2-ylmethoxy)-3-trimethylsilylhexan-2-yl]oxy-trimethylsilane

[3,4-dimethyl-1-(7-oxabicyclo[4.1.0]heptan-3-yl)-4-trimethylsilyloxypentan-3-yl]-trimethylsilane;[2,3-dimethyl-6-(oxiran-2-ylmethoxy)-3-trimethylsilylhexan-2-yl]oxy-trimethylsilane (PubChem CID 91582955) has the molecular formula C36H78O5Si4 and a molecular weight of 703.36 g/mol. Its IUPAC name is [3,4-dimethyl-1-(7-oxabicyclo[4.1.0]heptan-3-yl)-4-trimethylsilyloxypentan-3-yl]-trimethylsilane;[2,3-dimethyl-6-(oxiran-2-ylmethoxy)-3-trimethylsilylhexan-2-yl]oxy-trimethylsilane.

Molecular Properties

• Compound Name: [3,4-dimethyl-1-(7-oxabicyclo[4.1.0]heptan-3-yl)-4-trimethylsilyloxypentan-3-yl]-trimethylsilane;[2,3-dimethyl-6-(oxiran-2-ylmethoxy)-3-trimethylsilylhexan-2-yl]oxy-trimethylsilane
• PubChem CID: 91582955
• Molecular Formula: C36H78O5Si4
• Molecular Weight: 703.36 g/mol
• Exact Mass: 702.49
• IUPAC Name: [3,4-dimethyl-1-(7-oxabicyclo[4.1.0]heptan-3-yl)-4-trimethylsilyloxypentan-3-yl]-trimethylsilane;[2,3-dimethyl-6-(oxiran-2-ylmethoxy)-3-trimethylsilylhexan-2-yl]oxy-trimethylsilane
• SMILES: CC(C)(O[Si](C)(C)C)C(C)(CCC1CCC2OC2C1)[Si](C)(C)C.CC(C)(O[Si](C)(C)C)C(C)(CCCOCC1CO1)[Si](C)(C)C
• InChI: InChI=1S/C19H40O2Si2.C17H38O3Si2/c1-18(2,21-23(7,8)9)19(3,22(4,5)6)13-12-15-10-11-16-17(14-15)20-16;1-16(2,20-22(7,8)9)17(3,21(4,5)6)11-10-12-18-13-15-14-19-15/h15-17H,10-14H2,1-9H3;15H,10-14H2,1-9H3
• InChIKey: XATUAILPPZBXKY-UHFFFAOYSA-N
• XLogP: 10.97
• TPSA: 52.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 17
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	703.36
LogP ≤ 5	10.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 [3,4-dimethyl-1-(7-oxabicyclo[4.1.0]heptan-3-yl)-4-trimethylsilyloxypentan-3-yl]-trimethylsilane;[2,3-dimethyl-6-(oxiran-2-ylmethoxy)-3-trimethylsilylhexan-2-yl]oxy-trimethylsilane?

The IUPAC name of [3,4-dimethyl-1-(7-oxabicyclo[4.1.0]heptan-3-yl)-4-trimethylsilyloxypentan-3-yl]-trimethylsilane;[2,3-dimethyl-6-(oxiran-2-ylmethoxy)-3-trimethylsilylhexan-2-yl]oxy-trimethylsilane (CID 91582955) is [3,4-dimethyl-1-(7-oxabicyclo[4.1.0]heptan-3-yl)-4-trimethylsilyloxypentan-3-yl]-trimethylsilane;[2,3-dimethyl-6-(oxiran-2-ylmethoxy)-3-trimethylsilylhexan-2-yl]oxy-trimethylsilane.

What is the SMILES notation for [3,4-dimethyl-1-(7-oxabicyclo[4.1.0]heptan-3-yl)-4-trimethylsilyloxypentan-3-yl]-trimethylsilane;[2,3-dimethyl-6-(oxiran-2-ylmethoxy)-3-trimethylsilylhexan-2-yl]oxy-trimethylsilane?

The canonical SMILES for [3,4-dimethyl-1-(7-oxabicyclo[4.1.0]heptan-3-yl)-4-trimethylsilyloxypentan-3-yl]-trimethylsilane;[2,3-dimethyl-6-(oxiran-2-ylmethoxy)-3-trimethylsilylhexan-2-yl]oxy-trimethylsilane is CC(C)(O[Si](C)(C)C)C(C)(CCC1CCC2OC2C1)[Si](C)(C)C.CC(C)(O[Si](C)(C)C)C(C)(CCCOCC1CO1)[Si](C)(C)C.

What is the InChIKey of [3,4-dimethyl-1-(7-oxabicyclo[4.1.0]heptan-3-yl)-4-trimethylsilyloxypentan-3-yl]-trimethylsilane;[2,3-dimethyl-6-(oxiran-2-ylmethoxy)-3-trimethylsilylhexan-2-yl]oxy-trimethylsilane?

The InChIKey is XATUAILPPZBXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O2Si2.C17H38O3Si2/c1-18(2,21-23(7,8)9)19(3,22(4,5)6)13-12-15-10-11-16-17(14-15)20-16;1-16(2,20-22(7,8)9)17(3,21(4,5)6)11-10-12-18-13-15-14-19-15/h15-17H,10-14H2,1-9H3;15H,10-14H2,1-9H3.

What are the key properties of [3,4-dimethyl-1-(7-oxabicyclo[4.1.0]heptan-3-yl)-4-trimethylsilyloxypentan-3-yl]-trimethylsilane;[2,3-dimethyl-6-(oxiran-2-ylmethoxy)-3-trimethylsilylhexan-2-yl]oxy-trimethylsilane?

[3,4-dimethyl-1-(7-oxabicyclo[4.1.0]heptan-3-yl)-4-trimethylsilyloxypentan-3-yl]-trimethylsilane;[2,3-dimethyl-6-(oxiran-2-ylmethoxy)-3-trimethylsilylhexan-2-yl]oxy-trimethylsilane has a molecular weight of 703.36 g/mol, XLogP of 10.97, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3,4-dimethyl-1-(7-oxabicyclo[4.1.0]heptan-3-yl)-4-trimethylsilyloxypentan-3-yl]-trimethylsilane;[2,3-dimethyl-6-(oxiran-2-ylmethoxy)-3-trimethylsilylhexan-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 91582955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).