1-[[diethoxy(ethyl)silyl]methoxy]propyl propanoate

C13H28O5Si — CID 141200066

IUPAC1-[[diethoxy(ethyl)silyl]methoxy]propyl propanoate
SMILESCCO[Si](CC)(COC(CC)OC(=O)CC)OCC
InChIInChI=1S/C13H28O5Si/c1-6-12(14)18-13(7-2)15-11-19(10-5,16-8-3)17-9-4/h13H,6-11H2,1-5H3
InChIKeyYDNINJKKZOHMOX-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.77
Rot. Bonds11

About 1-[[diethoxy(ethyl)silyl]methoxy]propyl propanoate

1-[[diethoxy(ethyl)silyl]methoxy]propyl propanoate (PubChem CID 141200066) has the molecular formula C13H28O5Si and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-[[diethoxy(ethyl)silyl]methoxy]propyl propanoate.

Molecular Properties

Compound Name1-[[diethoxy(ethyl)silyl]methoxy]propyl propanoate
PubChem CID141200066
Molecular FormulaC13H28O5Si
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name1-[[diethoxy(ethyl)silyl]methoxy]propyl propanoate
SMILESCCO[Si](CC)(COC(CC)OC(=O)CC)OCC
InChIInChI=1S/C13H28O5Si/c1-6-12(14)18-13(7-2)15-11-19(10-5,16-8-3)17-9-4/h13H,6-11H2,1-5H3
InChIKeyYDNINJKKZOHMOX-UHFFFAOYSA-N
XLogP2.77
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(tripropoxysilylmethoxy)propyl propanoate
CID 141200003
1-[1-[ethoxy(dimethyl)silyl]propoxy]propyl propanoate
CID 141322875
1-[1-[diethyl(methoxy)silyl]propoxy]propyl propanoate
CID 141073678
1-acetyloxypropyl propanoate
CID 141272286
buta-1,3-diene;1-[[dimethoxy(propyl)silyl]oxymethoxy]propyl propanoate
CID 141111614
1-[1-[hydroxy(dimethoxy)silyl]oxybutan-2-yloxy]propyl propanoate
CID 154641604
(4,4-dimethoxy-1-propanoyloxybutyl) propanoate
CID 121011755
3-propanoyloxybutan-2-yl propanoate
CID 14494224
1-propanoyloxyoctadecyl propanoate
CID 154386000
CID 159416386
CID 159416386
1-pentoxypropyl butanoate
CID 87362466
bis(1-butoxypropyl) dodecanedioate
CID 87198216

Frequently Asked Questions

What is the IUPAC name of 1-[[diethoxy(ethyl)silyl]methoxy]propyl propanoate?
The IUPAC name of 1-[[diethoxy(ethyl)silyl]methoxy]propyl propanoate (CID 141200066) is 1-[[diethoxy(ethyl)silyl]methoxy]propyl propanoate.
What is the SMILES notation for 1-[[diethoxy(ethyl)silyl]methoxy]propyl propanoate?
The canonical SMILES for 1-[[diethoxy(ethyl)silyl]methoxy]propyl propanoate is CCO[Si](CC)(COC(CC)OC(=O)CC)OCC.
What is the InChIKey of 1-[[diethoxy(ethyl)silyl]methoxy]propyl propanoate?
The InChIKey is YDNINJKKZOHMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O5Si/c1-6-12(14)18-13(7-2)15-11-19(10-5,16-8-3)17-9-4/h13H,6-11H2,1-5H3.
What are the key properties of 1-[[diethoxy(ethyl)silyl]methoxy]propyl propanoate?
1-[[diethoxy(ethyl)silyl]methoxy]propyl propanoate has a molecular weight of 292.45 g/mol, XLogP of 2.77, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[diethoxy(ethyl)silyl]methoxy]propyl propanoate is sourced from PubChem (CID 141200066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).