bis[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-methyl-phenylsilane

C23H42O6Si3 — CID 57354896

IUPACbis[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-methyl-phenylsilane
SMILESC[Si](C)(CCCOCC1CO1)O[Si](C)(O[Si](C)(C)CCCOCC1CO1)c1ccccc1
InChIInChI=1S/C23H42O6Si3/c1-30(2,15-9-13-24-17-21-19-26-21)28-32(5,23-11-7-6-8-12-23)29-31(3,4)16-10-14-25-18-22-20-27-22/h6-8,11-12,21-22H,9-10,13-20H2,1-5H3
InChIKeyGVYJNBPRFDRDPE-UHFFFAOYSA-N
MW498.84 g/mol
LogP4.02
Rot. Bonds17

About bis[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-methyl-phenylsilane

bis[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-methyl-phenylsilane (PubChem CID 57354896) has the molecular formula C23H42O6Si3 and a molecular weight of 498.84 g/mol. Its IUPAC name is bis[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-methyl-phenylsilane.

Molecular Properties

Compound Namebis[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-methyl-phenylsilane
PubChem CID57354896
Molecular FormulaC23H42O6Si3
Molecular Weight498.84 g/mol
Exact Mass498.23
IUPAC Namebis[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-methyl-phenylsilane
SMILESC[Si](C)(CCCOCC1CO1)O[Si](C)(O[Si](C)(C)CCCOCC1CO1)c1ccccc1
InChIInChI=1S/C23H42O6Si3/c1-30(2,15-9-13-24-17-21-19-26-21)28-32(5,23-11-7-6-8-12-23)29-31(3,4)16-10-14-25-18-22-20-27-22/h6-8,11-12,21-22H,9-10,13-20H2,1-5H3
InChIKeyGVYJNBPRFDRDPE-UHFFFAOYSA-N
XLogP4.02
TPSA61.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.84
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

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Frequently Asked Questions

What is the IUPAC name of bis[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-methyl-phenylsilane?
The IUPAC name of bis[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-methyl-phenylsilane (CID 57354896) is bis[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-methyl-phenylsilane.
What is the SMILES notation for bis[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-methyl-phenylsilane?
The canonical SMILES for bis[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-methyl-phenylsilane is C[Si](C)(CCCOCC1CO1)O[Si](C)(O[Si](C)(C)CCCOCC1CO1)c1ccccc1.
What is the InChIKey of bis[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-methyl-phenylsilane?
The InChIKey is GVYJNBPRFDRDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O6Si3/c1-30(2,15-9-13-24-17-21-19-26-21)28-32(5,23-11-7-6-8-12-23)29-31(3,4)16-10-14-25-18-22-20-27-22/h6-8,11-12,21-22H,9-10,13-20H2,1-5H3.
What are the key properties of bis[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-methyl-phenylsilane?
bis[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-methyl-phenylsilane has a molecular weight of 498.84 g/mol, XLogP of 4.02, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-methyl-phenylsilane is sourced from PubChem (CID 57354896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).