4-[ethoxy(dimethoxy)silyl]hex-1-en-3-one

C10H20O4Si — CID 141315082

IUPAC4-[ethoxy(dimethoxy)silyl]hex-1-en-3-one
SMILESC=CC(=O)C(CC)[Si](OC)(OC)OCC
InChIInChI=1S/C10H20O4Si/c1-6-9(11)10(7-2)15(12-4,13-5)14-8-3/h6,10H,1,7-8H2,2-5H3
InChIKeyBRFTWRXZWGCIPP-UHFFFAOYSA-N
MW232.35 g/mol
LogP1.79
Rot. Bonds8

About 4-[ethoxy(dimethoxy)silyl]hex-1-en-3-one

4-[ethoxy(dimethoxy)silyl]hex-1-en-3-one (PubChem CID 141315082) has the molecular formula C10H20O4Si and a molecular weight of 232.35 g/mol. Its IUPAC name is 4-[ethoxy(dimethoxy)silyl]hex-1-en-3-one.

Molecular Properties

Compound Name4-[ethoxy(dimethoxy)silyl]hex-1-en-3-one
PubChem CID141315082
Molecular FormulaC10H20O4Si
Molecular Weight232.35 g/mol
Exact Mass232.11
IUPAC Name4-[ethoxy(dimethoxy)silyl]hex-1-en-3-one
SMILESC=CC(=O)C(CC)[Si](OC)(OC)OCC
InChIInChI=1S/C10H20O4Si/c1-6-9(11)10(7-2)15(12-4,13-5)14-8-3/h6,10H,1,7-8H2,2-5H3
InChIKeyBRFTWRXZWGCIPP-UHFFFAOYSA-N
XLogP1.79
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 51.79
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 4-[ethoxy(dimethoxy)silyl]hex-1-en-3-one?
The IUPAC name of 4-[ethoxy(dimethoxy)silyl]hex-1-en-3-one (CID 141315082) is 4-[ethoxy(dimethoxy)silyl]hex-1-en-3-one.
What is the SMILES notation for 4-[ethoxy(dimethoxy)silyl]hex-1-en-3-one?
The canonical SMILES for 4-[ethoxy(dimethoxy)silyl]hex-1-en-3-one is C=CC(=O)C(CC)[Si](OC)(OC)OCC.
What is the InChIKey of 4-[ethoxy(dimethoxy)silyl]hex-1-en-3-one?
The InChIKey is BRFTWRXZWGCIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4Si/c1-6-9(11)10(7-2)15(12-4,13-5)14-8-3/h6,10H,1,7-8H2,2-5H3.
What are the key properties of 4-[ethoxy(dimethoxy)silyl]hex-1-en-3-one?
4-[ethoxy(dimethoxy)silyl]hex-1-en-3-one has a molecular weight of 232.35 g/mol, XLogP of 1.79, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethoxy(dimethoxy)silyl]hex-1-en-3-one is sourced from PubChem (CID 141315082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).