6-(ethoxy-ethyl-methylsilyl)hexane-2,3-dione

C11H22O3Si — CID 58260453

IUPAC6-(ethoxy-ethyl-methylsilyl)hexane-2,3-dione
SMILESCCO[Si](C)(CC)CCCC(=O)C(C)=O
InChIInChI=1S/C11H22O3Si/c1-5-14-15(4,6-2)9-7-8-11(13)10(3)12/h5-9H2,1-4H3
InChIKeyONHUZKFFPPXJBQ-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.56
Rot. Bonds8

About 6-(ethoxy-ethyl-methylsilyl)hexane-2,3-dione

6-(ethoxy-ethyl-methylsilyl)hexane-2,3-dione (PubChem CID 58260453) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is 6-(ethoxy-ethyl-methylsilyl)hexane-2,3-dione.

Molecular Properties

Compound Name6-(ethoxy-ethyl-methylsilyl)hexane-2,3-dione
PubChem CID58260453
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Name6-(ethoxy-ethyl-methylsilyl)hexane-2,3-dione
SMILESCCO[Si](C)(CC)CCCC(=O)C(C)=O
InChIInChI=1S/C11H22O3Si/c1-5-14-15(4,6-2)9-7-8-11(13)10(3)12/h5-9H2,1-4H3
InChIKeyONHUZKFFPPXJBQ-UHFFFAOYSA-N
XLogP2.56
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.56
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'}

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Frequently Asked Questions

What is the IUPAC name of 6-(ethoxy-ethyl-methylsilyl)hexane-2,3-dione?
The IUPAC name of 6-(ethoxy-ethyl-methylsilyl)hexane-2,3-dione (CID 58260453) is 6-(ethoxy-ethyl-methylsilyl)hexane-2,3-dione.
What is the SMILES notation for 6-(ethoxy-ethyl-methylsilyl)hexane-2,3-dione?
The canonical SMILES for 6-(ethoxy-ethyl-methylsilyl)hexane-2,3-dione is CCO[Si](C)(CC)CCCC(=O)C(C)=O.
What is the InChIKey of 6-(ethoxy-ethyl-methylsilyl)hexane-2,3-dione?
The InChIKey is ONHUZKFFPPXJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-5-14-15(4,6-2)9-7-8-11(13)10(3)12/h5-9H2,1-4H3.
What are the key properties of 6-(ethoxy-ethyl-methylsilyl)hexane-2,3-dione?
6-(ethoxy-ethyl-methylsilyl)hexane-2,3-dione has a molecular weight of 230.38 g/mol, XLogP of 2.56, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethoxy-ethyl-methylsilyl)hexane-2,3-dione is sourced from PubChem (CID 58260453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).