1-[1-[diethyl(methoxy)silyl]propoxy]propyl propanoate

C14H30O4Si — CID 141073678

IUPAC1-[1-[diethyl(methoxy)silyl]propoxy]propyl propanoate
SMILESCCC(=O)OC(CC)OC(CC)[Si](CC)(CC)OC
InChIInChI=1S/C14H30O4Si/c1-7-12(15)17-13(8-2)18-14(9-3)19(10-4,11-5)16-6/h13-14H,7-11H2,1-6H3
InChIKeyWIKQXWJMIFZUDD-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.64
Rot. Bonds10

About 1-[1-[diethyl(methoxy)silyl]propoxy]propyl propanoate

1-[1-[diethyl(methoxy)silyl]propoxy]propyl propanoate (PubChem CID 141073678) has the molecular formula C14H30O4Si and a molecular weight of 290.48 g/mol. Its IUPAC name is 1-[1-[diethyl(methoxy)silyl]propoxy]propyl propanoate.

Molecular Properties

Compound Name1-[1-[diethyl(methoxy)silyl]propoxy]propyl propanoate
PubChem CID141073678
Molecular FormulaC14H30O4Si
Molecular Weight290.48 g/mol
Exact Mass290.19
IUPAC Name1-[1-[diethyl(methoxy)silyl]propoxy]propyl propanoate
SMILESCCC(=O)OC(CC)OC(CC)[Si](CC)(CC)OC
InChIInChI=1S/C14H30O4Si/c1-7-12(15)17-13(8-2)18-14(9-3)19(10-4,11-5)16-6/h13-14H,7-11H2,1-6H3
InChIKeyWIKQXWJMIFZUDD-UHFFFAOYSA-N
XLogP3.64
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[1-[ethoxy(dimethyl)silyl]propoxy]propyl propanoate
CID 141322875
1-[[diethoxy(ethyl)silyl]methoxy]propyl propanoate
CID 141200066
1-[1-[hydroxy(dimethoxy)silyl]oxybutan-2-yloxy]propyl propanoate
CID 154641604
1-acetyloxypropyl propanoate
CID 141272286
1-(tripropoxysilylmethoxy)propyl propanoate
CID 141200003
(4,4-dimethoxy-1-propanoyloxybutyl) propanoate
CID 121011755
buta-1,3-diene;1-[[dimethoxy(propyl)silyl]oxymethoxy]propyl propanoate
CID 141111614
1-[diethyl(methoxy)silyl]propan-1-ol
CID 141374420
3-propanoyloxybutan-2-yl propanoate
CID 14494224
1-propanoyloxyoctadecyl propanoate
CID 154386000
butan-2-yl propanoate;sulfur dioxide
CID 159892772
[(2R)-1,1,1-trichloropropan-2-yl] propanoate
CID 6933249

Frequently Asked Questions

What is the IUPAC name of 1-[1-[diethyl(methoxy)silyl]propoxy]propyl propanoate?
The IUPAC name of 1-[1-[diethyl(methoxy)silyl]propoxy]propyl propanoate (CID 141073678) is 1-[1-[diethyl(methoxy)silyl]propoxy]propyl propanoate.
What is the SMILES notation for 1-[1-[diethyl(methoxy)silyl]propoxy]propyl propanoate?
The canonical SMILES for 1-[1-[diethyl(methoxy)silyl]propoxy]propyl propanoate is CCC(=O)OC(CC)OC(CC)[Si](CC)(CC)OC.
What is the InChIKey of 1-[1-[diethyl(methoxy)silyl]propoxy]propyl propanoate?
The InChIKey is WIKQXWJMIFZUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4Si/c1-7-12(15)17-13(8-2)18-14(9-3)19(10-4,11-5)16-6/h13-14H,7-11H2,1-6H3.
What are the key properties of 1-[1-[diethyl(methoxy)silyl]propoxy]propyl propanoate?
1-[1-[diethyl(methoxy)silyl]propoxy]propyl propanoate has a molecular weight of 290.48 g/mol, XLogP of 3.64, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[diethyl(methoxy)silyl]propoxy]propyl propanoate is sourced from PubChem (CID 141073678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).