tris(2-methylpropyl)-[(E)-oct-3-en-2-yl]oxysilane

C20H42OSi — CID 5353180

IUPACtris(2-methylpropyl)-[(E)-oct-3-en-2-yl]oxysilane
SMILESCCCC/C=C/C(C)O[Si](CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C20H42OSi/c1-9-10-11-12-13-20(8)21-22(14-17(2)3,15-18(4)5)16-19(6)7/h12-13,17-20H,9-11,14-16H2,1-8H3/b13-12+
InChIKeyDDKZRVDKAHACBS-OUKQBFOZSA-N
MW326.64 g/mol
LogP7.05
Rot. Bonds12

About tris(2-methylpropyl)-[(E)-oct-3-en-2-yl]oxysilane

tris(2-methylpropyl)-[(E)-oct-3-en-2-yl]oxysilane (PubChem CID 5353180) has the molecular formula C20H42OSi and a molecular weight of 326.64 g/mol. Its IUPAC name is tris(2-methylpropyl)-[(E)-oct-3-en-2-yl]oxysilane.

Molecular Properties

Compound Nametris(2-methylpropyl)-[(E)-oct-3-en-2-yl]oxysilane
PubChem CID5353180
Molecular FormulaC20H42OSi
Molecular Weight326.64 g/mol
Exact Mass326.30
IUPAC Nametris(2-methylpropyl)-[(E)-oct-3-en-2-yl]oxysilane
SMILESCCCC/C=C/C(C)O[Si](CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C20H42OSi/c1-9-10-11-12-13-20(8)21-22(14-17(2)3,15-18(4)5)16-19(6)7/h12-13,17-20H,9-11,14-16H2,1-8H3/b13-12+
InChIKeyDDKZRVDKAHACBS-OUKQBFOZSA-N
XLogP7.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.64
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris(2-methylpropyl)-[(E)-oct-3-en-2-yl]oxysilane?
The IUPAC name of tris(2-methylpropyl)-[(E)-oct-3-en-2-yl]oxysilane (CID 5353180) is tris(2-methylpropyl)-[(E)-oct-3-en-2-yl]oxysilane.
What is the SMILES notation for tris(2-methylpropyl)-[(E)-oct-3-en-2-yl]oxysilane?
The canonical SMILES for tris(2-methylpropyl)-[(E)-oct-3-en-2-yl]oxysilane is CCCC/C=C/C(C)O[Si](CC(C)C)(CC(C)C)CC(C)C.
What is the InChIKey of tris(2-methylpropyl)-[(E)-oct-3-en-2-yl]oxysilane?
The InChIKey is DDKZRVDKAHACBS-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H42OSi/c1-9-10-11-12-13-20(8)21-22(14-17(2)3,15-18(4)5)16-19(6)7/h12-13,17-20H,9-11,14-16H2,1-8H3/b13-12+.
What are the key properties of tris(2-methylpropyl)-[(E)-oct-3-en-2-yl]oxysilane?
tris(2-methylpropyl)-[(E)-oct-3-en-2-yl]oxysilane has a molecular weight of 326.64 g/mol, XLogP of 7.05, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylpropyl)-[(E)-oct-3-en-2-yl]oxysilane is sourced from PubChem (CID 5353180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).