1-[1-[ethoxy(dimethyl)silyl]propoxy]propyl propanoate

C13H28O4Si — CID 141322875

IUPAC1-[1-[ethoxy(dimethyl)silyl]propoxy]propyl propanoate
SMILESCCO[Si](C)(C)C(CC)OC(CC)OC(=O)CC
InChIInChI=1S/C13H28O4Si/c1-7-11(14)16-12(8-2)17-13(9-3)18(5,6)15-10-4/h12-13H,7-10H2,1-6H3
InChIKeyVCRMFSILMYKOIB-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.25
Rot. Bonds9

About 1-[1-[ethoxy(dimethyl)silyl]propoxy]propyl propanoate

1-[1-[ethoxy(dimethyl)silyl]propoxy]propyl propanoate (PubChem CID 141322875) has the molecular formula C13H28O4Si and a molecular weight of 276.45 g/mol. Its IUPAC name is 1-[1-[ethoxy(dimethyl)silyl]propoxy]propyl propanoate.

Molecular Properties

Compound Name1-[1-[ethoxy(dimethyl)silyl]propoxy]propyl propanoate
PubChem CID141322875
Molecular FormulaC13H28O4Si
Molecular Weight276.45 g/mol
Exact Mass276.18
IUPAC Name1-[1-[ethoxy(dimethyl)silyl]propoxy]propyl propanoate
SMILESCCO[Si](C)(C)C(CC)OC(CC)OC(=O)CC
InChIInChI=1S/C13H28O4Si/c1-7-11(14)16-12(8-2)17-13(9-3)18(5,6)15-10-4/h12-13H,7-10H2,1-6H3
InChIKeyVCRMFSILMYKOIB-UHFFFAOYSA-N
XLogP3.25
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.25
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-[diethyl(methoxy)silyl]propoxy]propyl propanoate
CID 141073678
1-[[diethoxy(ethyl)silyl]methoxy]propyl propanoate
CID 141200066
1-acetyloxypropyl propanoate
CID 141272286
1-(tripropoxysilylmethoxy)propyl propanoate
CID 141200003
1-[1-[hydroxy(dimethoxy)silyl]oxybutan-2-yloxy]propyl propanoate
CID 154641604
3-oxo-3-(1-triethoxysilylpropoxy)propanoic acid
CID 23169573
(4,4-dimethoxy-1-propanoyloxybutyl) propanoate
CID 121011755
3-propanoyloxybutan-2-yl propanoate
CID 14494224
ethoxy-[1-(2-ethoxypropoxy)propyl]-dimethylsilane
CID 141066008
1-propanoyloxyoctadecyl propanoate
CID 154386000
1-triethoxysilylpropyl 2-methylbutanoate
CID 22902856
CID 159416386
CID 159416386

Frequently Asked Questions

What is the IUPAC name of 1-[1-[ethoxy(dimethyl)silyl]propoxy]propyl propanoate?
The IUPAC name of 1-[1-[ethoxy(dimethyl)silyl]propoxy]propyl propanoate (CID 141322875) is 1-[1-[ethoxy(dimethyl)silyl]propoxy]propyl propanoate.
What is the SMILES notation for 1-[1-[ethoxy(dimethyl)silyl]propoxy]propyl propanoate?
The canonical SMILES for 1-[1-[ethoxy(dimethyl)silyl]propoxy]propyl propanoate is CCO[Si](C)(C)C(CC)OC(CC)OC(=O)CC.
What is the InChIKey of 1-[1-[ethoxy(dimethyl)silyl]propoxy]propyl propanoate?
The InChIKey is VCRMFSILMYKOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4Si/c1-7-11(14)16-12(8-2)17-13(9-3)18(5,6)15-10-4/h12-13H,7-10H2,1-6H3.
What are the key properties of 1-[1-[ethoxy(dimethyl)silyl]propoxy]propyl propanoate?
1-[1-[ethoxy(dimethyl)silyl]propoxy]propyl propanoate has a molecular weight of 276.45 g/mol, XLogP of 3.25, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[ethoxy(dimethyl)silyl]propoxy]propyl propanoate is sourced from PubChem (CID 141322875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).