1,1,2-triethoxyhept-6-enylsilane

C13H28O3Si — CID 174605243

IUPAC1,1,2-triethoxyhept-6-enylsilane
SMILESC=CCCCC(OCC)C([SiH3])(OCC)OCC
InChIInChI=1S/C13H28O3Si/c1-5-9-10-11-12(14-6-2)13(17,15-7-3)16-8-4/h5,12H,1,6-11H2,2-4,17H3
InChIKeyDDJXOFZKJFWFER-UHFFFAOYSA-N
MW260.45 g/mol
LogP1.84
Rot. Bonds11

About 1,1,2-triethoxyhept-6-enylsilane

1,1,2-triethoxyhept-6-enylsilane (PubChem CID 174605243) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is 1,1,2-triethoxyhept-6-enylsilane.

Molecular Properties

Compound Name1,1,2-triethoxyhept-6-enylsilane
PubChem CID174605243
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Name1,1,2-triethoxyhept-6-enylsilane
SMILESC=CCCCC(OCC)C([SiH3])(OCC)OCC
InChIInChI=1S/C13H28O3Si/c1-5-9-10-11-12(14-6-2)13(17,15-7-3)16-8-4/h5,12H,1,6-11H2,2-4,17H3
InChIKeyDDJXOFZKJFWFER-UHFFFAOYSA-N
XLogP1.84
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-triethoxyhept-6-enylsilane?
The IUPAC name of 1,1,2-triethoxyhept-6-enylsilane (CID 174605243) is 1,1,2-triethoxyhept-6-enylsilane.
What is the SMILES notation for 1,1,2-triethoxyhept-6-enylsilane?
The canonical SMILES for 1,1,2-triethoxyhept-6-enylsilane is C=CCCCC(OCC)C([SiH3])(OCC)OCC.
What is the InChIKey of 1,1,2-triethoxyhept-6-enylsilane?
The InChIKey is DDJXOFZKJFWFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-5-9-10-11-12(14-6-2)13(17,15-7-3)16-8-4/h5,12H,1,6-11H2,2-4,17H3.
What are the key properties of 1,1,2-triethoxyhept-6-enylsilane?
1,1,2-triethoxyhept-6-enylsilane has a molecular weight of 260.45 g/mol, XLogP of 1.84, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-triethoxyhept-6-enylsilane is sourced from PubChem (CID 174605243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).