6-triethoxysilylhex-1-en-3-one

C12H24O4Si — CID 22323143

IUPAC6-triethoxysilylhex-1-en-3-one
SMILESC=CC(=O)CCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H24O4Si/c1-5-12(13)10-9-11-17(14-6-2,15-7-3)16-8-4/h5H,1,6-11H2,2-4H3
InChIKeyTXGWXGNDXYPWLF-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.57
Rot. Bonds11

About 6-triethoxysilylhex-1-en-3-one

6-triethoxysilylhex-1-en-3-one (PubChem CID 22323143) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 6-triethoxysilylhex-1-en-3-one.

Molecular Properties

Compound Name6-triethoxysilylhex-1-en-3-one
PubChem CID22323143
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name6-triethoxysilylhex-1-en-3-one
SMILESC=CC(=O)CCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H24O4Si/c1-5-12(13)10-9-11-17(14-6-2,15-7-3)16-8-4/h5H,1,6-11H2,2-4H3
InChIKeyTXGWXGNDXYPWLF-UHFFFAOYSA-N
XLogP2.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-triethoxysilylhex-1-en-3-one?
The IUPAC name of 6-triethoxysilylhex-1-en-3-one (CID 22323143) is 6-triethoxysilylhex-1-en-3-one.
What is the SMILES notation for 6-triethoxysilylhex-1-en-3-one?
The canonical SMILES for 6-triethoxysilylhex-1-en-3-one is C=CC(=O)CCC[Si](OCC)(OCC)OCC.
What is the InChIKey of 6-triethoxysilylhex-1-en-3-one?
The InChIKey is TXGWXGNDXYPWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-5-12(13)10-9-11-17(14-6-2,15-7-3)16-8-4/h5H,1,6-11H2,2-4H3.
What are the key properties of 6-triethoxysilylhex-1-en-3-one?
6-triethoxysilylhex-1-en-3-one has a molecular weight of 260.41 g/mol, XLogP of 2.57, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-triethoxysilylhex-1-en-3-one is sourced from PubChem (CID 22323143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).