bis(dimethylsilyloxy)-dimethylsilane;2-[[4-[[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane

C31H48O6Si3 — CID 158570112

About bis(dimethylsilyloxy)-dimethylsilane;2-[[4-[[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane

bis(dimethylsilyloxy)-dimethylsilane;2-[[4-[[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane (PubChem CID 158570112) has the molecular formula C31H48O6Si3 and a molecular weight of 600.98 g/mol. Its IUPAC name is bis(dimethylsilyloxy)-dimethylsilane;2-[[4-[[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane.

Molecular Properties

• Compound Name: bis(dimethylsilyloxy)-dimethylsilane;2-[[4-[[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane
• PubChem CID: 158570112
• Molecular Formula: C31H48O6Si3
• Molecular Weight: 600.98 g/mol
• Exact Mass: 600.28
• IUPAC Name: bis(dimethylsilyloxy)-dimethylsilane;2-[[4-[[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane
• SMILES: C=CCc1cc(Cc2ccc(OCC3CO3)c(CC=C)c2)ccc1OCC1CO1.C[SiH](C)O[Si](C)(C)O[SiH](C)C
• InChI: InChI=1S/C25H28O4.C6H20O2Si3/c1-3-5-20-12-18(7-9-24(20)28-16-22-14-26-22)11-19-8-10-25(21(13-19)6-4-2)29-17-23-15-27-23;1-9(2)7-11(5,6)8-10(3)4/h3-4,7-10,12-13,22-23H,1-2,5-6,11,14-17H2;9-10H,1-6H3
• InChIKey: HRYYJYKEGHPRPC-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 61.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.98
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(dimethylsilyloxy)-dimethylsilane;2-[[4-[[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane?

The IUPAC name of bis(dimethylsilyloxy)-dimethylsilane;2-[[4-[[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane (CID 158570112) is bis(dimethylsilyloxy)-dimethylsilane;2-[[4-[[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane.

What is the SMILES notation for bis(dimethylsilyloxy)-dimethylsilane;2-[[4-[[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane?

The canonical SMILES for bis(dimethylsilyloxy)-dimethylsilane;2-[[4-[[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane is C=CCc1cc(Cc2ccc(OCC3CO3)c(CC=C)c2)ccc1OCC1CO1.C[SiH](C)O[Si](C)(C)O[SiH](C)C.

What is the InChIKey of bis(dimethylsilyloxy)-dimethylsilane;2-[[4-[[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane?

The InChIKey is HRYYJYKEGHPRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O4.C6H20O2Si3/c1-3-5-20-12-18(7-9-24(20)28-16-22-14-26-22)11-19-8-10-25(21(13-19)6-4-2)29-17-23-15-27-23;1-9(2)7-11(5,6)8-10(3)4/h3-4,7-10,12-13,22-23H,1-2,5-6,11,14-17H2;9-10H,1-6H3.

What are the key properties of bis(dimethylsilyloxy)-dimethylsilane;2-[[4-[[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane?

bis(dimethylsilyloxy)-dimethylsilane;2-[[4-[[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane has a molecular weight of 600.98 g/mol, XLogP of 5.98, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for bis(dimethylsilyloxy)-dimethylsilane;2-[[4-[[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane is sourced from PubChem (CID 158570112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).