6-[ethoxy(diethyl)silyl]hex-1-ene-3,4-dione

C12H22O3Si — CID 56994463

IUPAC6-[ethoxy(diethyl)silyl]hex-1-ene-3,4-dione
SMILESC=CC(=O)C(=O)CC[Si](CC)(CC)OCC
InChIInChI=1S/C12H22O3Si/c1-5-11(13)12(14)9-10-16(7-3,8-4)15-6-2/h5H,1,6-10H2,2-4H3
InChIKeyVGQYIAGKHUXROG-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.72
Rot. Bonds9

About 6-[ethoxy(diethyl)silyl]hex-1-ene-3,4-dione

6-[ethoxy(diethyl)silyl]hex-1-ene-3,4-dione (PubChem CID 56994463) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is 6-[ethoxy(diethyl)silyl]hex-1-ene-3,4-dione.

Molecular Properties

Compound Name6-[ethoxy(diethyl)silyl]hex-1-ene-3,4-dione
PubChem CID56994463
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Name6-[ethoxy(diethyl)silyl]hex-1-ene-3,4-dione
SMILESC=CC(=O)C(=O)CC[Si](CC)(CC)OCC
InChIInChI=1S/C12H22O3Si/c1-5-11(13)12(14)9-10-16(7-3,8-4)15-6-2/h5H,1,6-10H2,2-4H3
InChIKeyVGQYIAGKHUXROG-UHFFFAOYSA-N
XLogP2.72
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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-[ethoxy(diethyl)silyl]hex-1-ene-3,4-dione?
The IUPAC name of 6-[ethoxy(diethyl)silyl]hex-1-ene-3,4-dione (CID 56994463) is 6-[ethoxy(diethyl)silyl]hex-1-ene-3,4-dione.
What is the SMILES notation for 6-[ethoxy(diethyl)silyl]hex-1-ene-3,4-dione?
The canonical SMILES for 6-[ethoxy(diethyl)silyl]hex-1-ene-3,4-dione is C=CC(=O)C(=O)CC[Si](CC)(CC)OCC.
What is the InChIKey of 6-[ethoxy(diethyl)silyl]hex-1-ene-3,4-dione?
The InChIKey is VGQYIAGKHUXROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3Si/c1-5-11(13)12(14)9-10-16(7-3,8-4)15-6-2/h5H,1,6-10H2,2-4H3.
What are the key properties of 6-[ethoxy(diethyl)silyl]hex-1-ene-3,4-dione?
6-[ethoxy(diethyl)silyl]hex-1-ene-3,4-dione has a molecular weight of 242.39 g/mol, XLogP of 2.72, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethoxy(diethyl)silyl]hex-1-ene-3,4-dione is sourced from PubChem (CID 56994463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).