1,1,2-triethoxyoct-7-enylsilane

C14H30O3Si — CID 173326607

IUPAC1,1,2-triethoxyoct-7-enylsilane
SMILESC=CCCCCC(OCC)C([SiH3])(OCC)OCC
InChIInChI=1S/C14H30O3Si/c1-5-9-10-11-12-13(15-6-2)14(18,16-7-3)17-8-4/h5,13H,1,6-12H2,2-4,18H3
InChIKeyHGJUTKPQSVCUOW-UHFFFAOYSA-N
MW274.48 g/mol
LogP2.23
Rot. Bonds12

About 1,1,2-triethoxyoct-7-enylsilane

1,1,2-triethoxyoct-7-enylsilane (PubChem CID 173326607) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is 1,1,2-triethoxyoct-7-enylsilane.

Molecular Properties

Compound Name1,1,2-triethoxyoct-7-enylsilane
PubChem CID173326607
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Name1,1,2-triethoxyoct-7-enylsilane
SMILESC=CCCCCC(OCC)C([SiH3])(OCC)OCC
InChIInChI=1S/C14H30O3Si/c1-5-9-10-11-12-13(15-6-2)14(18,16-7-3)17-8-4/h5,13H,1,6-12H2,2-4,18H3
InChIKeyHGJUTKPQSVCUOW-UHFFFAOYSA-N
XLogP2.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 52.23
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-triethoxyoct-7-enylsilane?
The IUPAC name of 1,1,2-triethoxyoct-7-enylsilane (CID 173326607) is 1,1,2-triethoxyoct-7-enylsilane.
What is the SMILES notation for 1,1,2-triethoxyoct-7-enylsilane?
The canonical SMILES for 1,1,2-triethoxyoct-7-enylsilane is C=CCCCCC(OCC)C([SiH3])(OCC)OCC.
What is the InChIKey of 1,1,2-triethoxyoct-7-enylsilane?
The InChIKey is HGJUTKPQSVCUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-5-9-10-11-12-13(15-6-2)14(18,16-7-3)17-8-4/h5,13H,1,6-12H2,2-4,18H3.
What are the key properties of 1,1,2-triethoxyoct-7-enylsilane?
1,1,2-triethoxyoct-7-enylsilane has a molecular weight of 274.48 g/mol, XLogP of 2.23, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-triethoxyoct-7-enylsilane is sourced from PubChem (CID 173326607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).