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

C30H56O9Si4 — CID 51347821

IUPACtris[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-phenylsilane
SMILESC[Si](C)(CCCOCC1CO1)O[Si](O[Si](C)(C)CCCOCC1CO1)(O[Si](C)(C)CCCOCC1CO1)c1ccccc1
InChIInChI=1S/C30H56O9Si4/c1-40(2,18-10-15-31-21-27-24-34-27)37-43(30-13-8-7-9-14-30,38-41(3,4)19-11-16-32-22-28-25-35-28)39-42(5,6)20-12-17-33-23-29-26-36-29/h7-9,13-14,27-29H,10-12,15-26H2,1-6H3
InChIKeyITOMRKOKARKBEP-UHFFFAOYSA-N
MW673.11 g/mol
LogP4.91
Rot. Bonds25

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

tris[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-phenylsilane (PubChem CID 51347821) has the molecular formula C30H56O9Si4 and a molecular weight of 673.11 g/mol. Its IUPAC name is tris[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-phenylsilane.

Molecular Properties

Compound Nametris[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-phenylsilane
PubChem CID51347821
Molecular FormulaC30H56O9Si4
Molecular Weight673.11 g/mol
Exact Mass672.30
IUPAC Nametris[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-phenylsilane
SMILESC[Si](C)(CCCOCC1CO1)O[Si](O[Si](C)(C)CCCOCC1CO1)(O[Si](C)(C)CCCOCC1CO1)c1ccccc1
InChIInChI=1S/C30H56O9Si4/c1-40(2,18-10-15-31-21-27-24-34-27)37-43(30-13-8-7-9-14-30,38-41(3,4)19-11-16-32-22-28-25-35-28)39-42(5,6)20-12-17-33-23-29-26-36-29/h7-9,13-14,27-29H,10-12,15-26H2,1-6H3
InChIKeyITOMRKOKARKBEP-UHFFFAOYSA-N
XLogP4.91
TPSA92.97 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds25
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500673.11
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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 tris[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-phenylsilane?
The IUPAC name of tris[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-phenylsilane (CID 51347821) is tris[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-phenylsilane.
What is the SMILES notation for tris[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-phenylsilane?
The canonical SMILES for tris[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-phenylsilane is C[Si](C)(CCCOCC1CO1)O[Si](O[Si](C)(C)CCCOCC1CO1)(O[Si](C)(C)CCCOCC1CO1)c1ccccc1.
What is the InChIKey of tris[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-phenylsilane?
The InChIKey is ITOMRKOKARKBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H56O9Si4/c1-40(2,18-10-15-31-21-27-24-34-27)37-43(30-13-8-7-9-14-30,38-41(3,4)19-11-16-32-22-28-25-35-28)39-42(5,6)20-12-17-33-23-29-26-36-29/h7-9,13-14,27-29H,10-12,15-26H2,1-6H3.
What are the key properties of tris[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-phenylsilane?
tris[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-phenylsilane has a molecular weight of 673.11 g/mol, XLogP of 4.91, 25 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy]-phenylsilane is sourced from PubChem (CID 51347821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).