3-(3-trimethoxysilylpropyl)pentane-2,4-dione

C11H22O5Si — CID 15041690

IUPAC3-(3-trimethoxysilylpropyl)pentane-2,4-dione
SMILESCO[Si](CCCC(C(C)=O)C(C)=O)(OC)OC
InChIInChI=1S/C11H22O5Si/c1-9(12)11(10(2)13)7-6-8-17(14-3,15-4)16-5/h11H,6-8H2,1-5H3
InChIKeyOVZVNLLVRWSTET-UHFFFAOYSA-N
MW262.38 g/mol
LogP1.44
Rot. Bonds9

About 3-(3-trimethoxysilylpropyl)pentane-2,4-dione

3-(3-trimethoxysilylpropyl)pentane-2,4-dione (PubChem CID 15041690) has the molecular formula C11H22O5Si and a molecular weight of 262.38 g/mol. Its IUPAC name is 3-(3-trimethoxysilylpropyl)pentane-2,4-dione.

Molecular Properties

Compound Name3-(3-trimethoxysilylpropyl)pentane-2,4-dione
PubChem CID15041690
Molecular FormulaC11H22O5Si
Molecular Weight262.38 g/mol
Exact Mass262.12
IUPAC Name3-(3-trimethoxysilylpropyl)pentane-2,4-dione
SMILESCO[Si](CCCC(C(C)=O)C(C)=O)(OC)OC
InChIInChI=1S/C11H22O5Si/c1-9(12)11(10(2)13)7-6-8-17(14-3,15-4)16-5/h11H,6-8H2,1-5H3
InChIKeyOVZVNLLVRWSTET-UHFFFAOYSA-N
XLogP1.44
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-trimethoxysilylpropyl)pentane-2,4-dione?
The IUPAC name of 3-(3-trimethoxysilylpropyl)pentane-2,4-dione (CID 15041690) is 3-(3-trimethoxysilylpropyl)pentane-2,4-dione.
What is the SMILES notation for 3-(3-trimethoxysilylpropyl)pentane-2,4-dione?
The canonical SMILES for 3-(3-trimethoxysilylpropyl)pentane-2,4-dione is CO[Si](CCCC(C(C)=O)C(C)=O)(OC)OC.
What is the InChIKey of 3-(3-trimethoxysilylpropyl)pentane-2,4-dione?
The InChIKey is OVZVNLLVRWSTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5Si/c1-9(12)11(10(2)13)7-6-8-17(14-3,15-4)16-5/h11H,6-8H2,1-5H3.
What are the key properties of 3-(3-trimethoxysilylpropyl)pentane-2,4-dione?
3-(3-trimethoxysilylpropyl)pentane-2,4-dione has a molecular weight of 262.38 g/mol, XLogP of 1.44, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-trimethoxysilylpropyl)pentane-2,4-dione is sourced from PubChem (CID 15041690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).