1,1,2-triethoxyhex-5-enylsilane

C12H26O3Si — CID 174620035

IUPAC1,1,2-triethoxyhex-5-enylsilane
SMILESC=CCCC(OCC)C([SiH3])(OCC)OCC
InChIInChI=1S/C12H26O3Si/c1-5-9-10-11(13-6-2)12(16,14-7-3)15-8-4/h5,11H,1,6-10H2,2-4,16H3
InChIKeyZTFXTNUUQCUEDV-UHFFFAOYSA-N
MW246.42 g/mol
LogP1.45
Rot. Bonds10

About 1,1,2-triethoxyhex-5-enylsilane

1,1,2-triethoxyhex-5-enylsilane (PubChem CID 174620035) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is 1,1,2-triethoxyhex-5-enylsilane.

Molecular Properties

Compound Name1,1,2-triethoxyhex-5-enylsilane
PubChem CID174620035
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name1,1,2-triethoxyhex-5-enylsilane
SMILESC=CCCC(OCC)C([SiH3])(OCC)OCC
InChIInChI=1S/C12H26O3Si/c1-5-9-10-11(13-6-2)12(16,14-7-3)15-8-4/h5,11H,1,6-10H2,2-4,16H3
InChIKeyZTFXTNUUQCUEDV-UHFFFAOYSA-N
XLogP1.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-triethoxyhex-5-enylsilane?
The IUPAC name of 1,1,2-triethoxyhex-5-enylsilane (CID 174620035) is 1,1,2-triethoxyhex-5-enylsilane.
What is the SMILES notation for 1,1,2-triethoxyhex-5-enylsilane?
The canonical SMILES for 1,1,2-triethoxyhex-5-enylsilane is C=CCCC(OCC)C([SiH3])(OCC)OCC.
What is the InChIKey of 1,1,2-triethoxyhex-5-enylsilane?
The InChIKey is ZTFXTNUUQCUEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-5-9-10-11(13-6-2)12(16,14-7-3)15-8-4/h5,11H,1,6-10H2,2-4,16H3.
What are the key properties of 1,1,2-triethoxyhex-5-enylsilane?
1,1,2-triethoxyhex-5-enylsilane has a molecular weight of 246.42 g/mol, XLogP of 1.45, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-triethoxyhex-5-enylsilane is sourced from PubChem (CID 174620035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).