3-[dimethoxy(methyl)silyl]propyl butanoate

C10H22O4Si — CID 20740572

IUPAC3-[dimethoxy(methyl)silyl]propyl butanoate
SMILESCCCC(=O)OCCC[Si](C)(OC)OC
InChIInChI=1S/C10H22O4Si/c1-5-7-10(11)14-8-6-9-15(4,12-2)13-3/h5-9H2,1-4H3
InChIKeyRUDRJRXELBNEIO-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.08
Rot. Bonds8

About 3-[dimethoxy(methyl)silyl]propyl butanoate

3-[dimethoxy(methyl)silyl]propyl butanoate (PubChem CID 20740572) has the molecular formula C10H22O4Si and a molecular weight of 234.37 g/mol. Its IUPAC name is 3-[dimethoxy(methyl)silyl]propyl butanoate.

Molecular Properties

Compound Name3-[dimethoxy(methyl)silyl]propyl butanoate
PubChem CID20740572
Molecular FormulaC10H22O4Si
Molecular Weight234.37 g/mol
Exact Mass234.13
IUPAC Name3-[dimethoxy(methyl)silyl]propyl butanoate
SMILESCCCC(=O)OCCC[Si](C)(OC)OC
InChIInChI=1S/C10H22O4Si/c1-5-7-10(11)14-8-6-9-15(4,12-2)13-3/h5-9H2,1-4H3
InChIKeyRUDRJRXELBNEIO-UHFFFAOYSA-N
XLogP2.08
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[dimethoxy(methyl)silyl]propyl butanoate?
The IUPAC name of 3-[dimethoxy(methyl)silyl]propyl butanoate (CID 20740572) is 3-[dimethoxy(methyl)silyl]propyl butanoate.
What is the SMILES notation for 3-[dimethoxy(methyl)silyl]propyl butanoate?
The canonical SMILES for 3-[dimethoxy(methyl)silyl]propyl butanoate is CCCC(=O)OCCC[Si](C)(OC)OC.
What is the InChIKey of 3-[dimethoxy(methyl)silyl]propyl butanoate?
The InChIKey is RUDRJRXELBNEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4Si/c1-5-7-10(11)14-8-6-9-15(4,12-2)13-3/h5-9H2,1-4H3.
What are the key properties of 3-[dimethoxy(methyl)silyl]propyl butanoate?
3-[dimethoxy(methyl)silyl]propyl butanoate has a molecular weight of 234.37 g/mol, XLogP of 2.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethoxy(methyl)silyl]propyl butanoate is sourced from PubChem (CID 20740572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).