6-[diethoxy(ethyl)silyl]hexane-2,3-dione

C12H24O4Si — CID 58260439

IUPAC6-[diethoxy(ethyl)silyl]hexane-2,3-dione
SMILESCCO[Si](CC)(CCCC(=O)C(C)=O)OCC
InChIInChI=1S/C12H24O4Si/c1-5-15-17(7-3,16-6-2)10-8-9-12(14)11(4)13/h5-10H2,1-4H3
InChIKeyGWPINLMSCWSKBN-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.46
Rot. Bonds10

About 6-[diethoxy(ethyl)silyl]hexane-2,3-dione

6-[diethoxy(ethyl)silyl]hexane-2,3-dione (PubChem CID 58260439) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 6-[diethoxy(ethyl)silyl]hexane-2,3-dione.

Molecular Properties

Compound Name6-[diethoxy(ethyl)silyl]hexane-2,3-dione
PubChem CID58260439
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name6-[diethoxy(ethyl)silyl]hexane-2,3-dione
SMILESCCO[Si](CC)(CCCC(=O)C(C)=O)OCC
InChIInChI=1S/C12H24O4Si/c1-5-15-17(7-3,16-6-2)10-8-9-12(14)11(4)13/h5-10H2,1-4H3
InChIKeyGWPINLMSCWSKBN-UHFFFAOYSA-N
XLogP2.46
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of 6-[diethoxy(ethyl)silyl]hexane-2,3-dione?
The IUPAC name of 6-[diethoxy(ethyl)silyl]hexane-2,3-dione (CID 58260439) is 6-[diethoxy(ethyl)silyl]hexane-2,3-dione.
What is the SMILES notation for 6-[diethoxy(ethyl)silyl]hexane-2,3-dione?
The canonical SMILES for 6-[diethoxy(ethyl)silyl]hexane-2,3-dione is CCO[Si](CC)(CCCC(=O)C(C)=O)OCC.
What is the InChIKey of 6-[diethoxy(ethyl)silyl]hexane-2,3-dione?
The InChIKey is GWPINLMSCWSKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-5-15-17(7-3,16-6-2)10-8-9-12(14)11(4)13/h5-10H2,1-4H3.
What are the key properties of 6-[diethoxy(ethyl)silyl]hexane-2,3-dione?
6-[diethoxy(ethyl)silyl]hexane-2,3-dione has a molecular weight of 260.41 g/mol, XLogP of 2.46, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[diethoxy(ethyl)silyl]hexane-2,3-dione is sourced from PubChem (CID 58260439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).