3-triethoxysilylpentan-2-one

C11H24O4Si — CID 88725824

IUPAC3-triethoxysilylpentan-2-one
SMILESCCO[Si](OCC)(OCC)C(CC)C(C)=O
InChIInChI=1S/C11H24O4Si/c1-6-11(10(5)12)16(13-7-2,14-8-3)15-9-4/h11H,6-9H2,1-5H3
InChIKeyAHIQNUHWRRLOMY-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.40
Rot. Bonds9

About 3-triethoxysilylpentan-2-one

3-triethoxysilylpentan-2-one (PubChem CID 88725824) has the molecular formula C11H24O4Si and a molecular weight of 248.39 g/mol. Its IUPAC name is 3-triethoxysilylpentan-2-one.

Molecular Properties

Compound Name3-triethoxysilylpentan-2-one
PubChem CID88725824
Molecular FormulaC11H24O4Si
Molecular Weight248.39 g/mol
Exact Mass248.14
IUPAC Name3-triethoxysilylpentan-2-one
SMILESCCO[Si](OCC)(OCC)C(CC)C(C)=O
InChIInChI=1S/C11H24O4Si/c1-6-11(10(5)12)16(13-7-2,14-8-3)15-9-4/h11H,6-9H2,1-5H3
InChIKeyAHIQNUHWRRLOMY-UHFFFAOYSA-N
XLogP2.40
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-triethoxysilylpentan-2-one?
The IUPAC name of 3-triethoxysilylpentan-2-one (CID 88725824) is 3-triethoxysilylpentan-2-one.
What is the SMILES notation for 3-triethoxysilylpentan-2-one?
The canonical SMILES for 3-triethoxysilylpentan-2-one is CCO[Si](OCC)(OCC)C(CC)C(C)=O.
What is the InChIKey of 3-triethoxysilylpentan-2-one?
The InChIKey is AHIQNUHWRRLOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4Si/c1-6-11(10(5)12)16(13-7-2,14-8-3)15-9-4/h11H,6-9H2,1-5H3.
What are the key properties of 3-triethoxysilylpentan-2-one?
3-triethoxysilylpentan-2-one has a molecular weight of 248.39 g/mol, XLogP of 2.40, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-triethoxysilylpentan-2-one is sourced from PubChem (CID 88725824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).