1-[(E)-but-2-enoxy]propyl-trimethoxysilane

C10H22O4Si — CID 18672775

IUPAC1-[(E)-but-2-enoxy]propyl-trimethoxysilane
SMILESC/C=C/COC(CC)[Si](OC)(OC)OC
InChIInChI=1S/C10H22O4Si/c1-6-8-9-14-10(7-2)15(11-3,12-4)13-5/h6,8,10H,7,9H2,1-5H3/b8-6+
InChIKeyXIRVNGMBOHURCJ-SOFGYWHQSA-N
MW234.37 g/mol
LogP1.77
Rot. Bonds8

About 1-[(E)-but-2-enoxy]propyl-trimethoxysilane

1-[(E)-but-2-enoxy]propyl-trimethoxysilane (PubChem CID 18672775) has the molecular formula C10H22O4Si and a molecular weight of 234.37 g/mol. Its IUPAC name is 1-[(E)-but-2-enoxy]propyl-trimethoxysilane.

Molecular Properties

Compound Name1-[(E)-but-2-enoxy]propyl-trimethoxysilane
PubChem CID18672775
Molecular FormulaC10H22O4Si
Molecular Weight234.37 g/mol
Exact Mass234.13
IUPAC Name1-[(E)-but-2-enoxy]propyl-trimethoxysilane
SMILESC/C=C/COC(CC)[Si](OC)(OC)OC
InChIInChI=1S/C10H22O4Si/c1-6-8-9-14-10(7-2)15(11-3,12-4)13-5/h6,8,10H,7,9H2,1-5H3/b8-6+
InChIKeyXIRVNGMBOHURCJ-SOFGYWHQSA-N
XLogP1.77
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 1-[(E)-but-2-enoxy]propyl-trimethoxysilane?
The IUPAC name of 1-[(E)-but-2-enoxy]propyl-trimethoxysilane (CID 18672775) is 1-[(E)-but-2-enoxy]propyl-trimethoxysilane.
What is the SMILES notation for 1-[(E)-but-2-enoxy]propyl-trimethoxysilane?
The canonical SMILES for 1-[(E)-but-2-enoxy]propyl-trimethoxysilane is C/C=C/COC(CC)[Si](OC)(OC)OC.
What is the InChIKey of 1-[(E)-but-2-enoxy]propyl-trimethoxysilane?
The InChIKey is XIRVNGMBOHURCJ-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H22O4Si/c1-6-8-9-14-10(7-2)15(11-3,12-4)13-5/h6,8,10H,7,9H2,1-5H3/b8-6+.
What are the key properties of 1-[(E)-but-2-enoxy]propyl-trimethoxysilane?
1-[(E)-but-2-enoxy]propyl-trimethoxysilane has a molecular weight of 234.37 g/mol, XLogP of 1.77, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enoxy]propyl-trimethoxysilane is sourced from PubChem (CID 18672775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).