tris(6-ethenoxyhexan-2-yloxy)-hydroxysilane

C24H46O7Si — CID 88505829

IUPACtris(6-ethenoxyhexan-2-yloxy)-hydroxysilane
SMILESC=COCCCCC(C)O[Si](O)(OC(C)CCCCOC=C)OC(C)CCCCOC=C
InChIInChI=1S/C24H46O7Si/c1-7-26-19-13-10-16-22(4)29-32(25,30-23(5)17-11-14-20-27-8-2)31-24(6)18-12-15-21-28-9-3/h7-9,22-25H,1-3,10-21H2,4-6H3
InChIKeyZKVFTKUIKRPMEB-UHFFFAOYSA-N
MW474.71 g/mol
LogP5.62
Rot. Bonds24

About tris(6-ethenoxyhexan-2-yloxy)-hydroxysilane

tris(6-ethenoxyhexan-2-yloxy)-hydroxysilane (PubChem CID 88505829) has the molecular formula C24H46O7Si and a molecular weight of 474.71 g/mol. Its IUPAC name is tris(6-ethenoxyhexan-2-yloxy)-hydroxysilane.

Molecular Properties

Compound Nametris(6-ethenoxyhexan-2-yloxy)-hydroxysilane
PubChem CID88505829
Molecular FormulaC24H46O7Si
Molecular Weight474.71 g/mol
Exact Mass474.30
IUPAC Nametris(6-ethenoxyhexan-2-yloxy)-hydroxysilane
SMILESC=COCCCCC(C)O[Si](O)(OC(C)CCCCOC=C)OC(C)CCCCOC=C
InChIInChI=1S/C24H46O7Si/c1-7-26-19-13-10-16-22(4)29-32(25,30-23(5)17-11-14-20-27-8-2)31-24(6)18-12-15-21-28-9-3/h7-9,22-25H,1-3,10-21H2,4-6H3
InChIKeyZKVFTKUIKRPMEB-UHFFFAOYSA-N
XLogP5.62
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.71
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris(6-ethenoxyhexan-2-yloxy)-hydroxysilane?
The IUPAC name of tris(6-ethenoxyhexan-2-yloxy)-hydroxysilane (CID 88505829) is tris(6-ethenoxyhexan-2-yloxy)-hydroxysilane.
What is the SMILES notation for tris(6-ethenoxyhexan-2-yloxy)-hydroxysilane?
The canonical SMILES for tris(6-ethenoxyhexan-2-yloxy)-hydroxysilane is C=COCCCCC(C)O[Si](O)(OC(C)CCCCOC=C)OC(C)CCCCOC=C.
What is the InChIKey of tris(6-ethenoxyhexan-2-yloxy)-hydroxysilane?
The InChIKey is ZKVFTKUIKRPMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O7Si/c1-7-26-19-13-10-16-22(4)29-32(25,30-23(5)17-11-14-20-27-8-2)31-24(6)18-12-15-21-28-9-3/h7-9,22-25H,1-3,10-21H2,4-6H3.
What are the key properties of tris(6-ethenoxyhexan-2-yloxy)-hydroxysilane?
tris(6-ethenoxyhexan-2-yloxy)-hydroxysilane has a molecular weight of 474.71 g/mol, XLogP of 5.62, 24 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(6-ethenoxyhexan-2-yloxy)-hydroxysilane is sourced from PubChem (CID 88505829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).