[2-[1-(1,1-dimethyl-3,4-dihydro-2H-silin-5-yl)ethoxy]-2-oxoethyl] propanoate

C14H24O4Si — CID 132530708

IUPAC[2-[1-(1,1-dimethyl-3,4-dihydro-2H-silin-5-yl)ethoxy]-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)OC(C)C1=C[Si](C)(C)CCC1
InChIInChI=1S/C14H24O4Si/c1-5-13(15)17-9-14(16)18-11(2)12-7-6-8-19(3,4)10-12/h10-11H,5-9H2,1-4H3
InChIKeyHNGQGUOIMUZURA-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.84
Rot. Bonds5

About [2-[1-(1,1-dimethyl-3,4-dihydro-2H-silin-5-yl)ethoxy]-2-oxoethyl] propanoate

[2-[1-(1,1-dimethyl-3,4-dihydro-2H-silin-5-yl)ethoxy]-2-oxoethyl] propanoate (PubChem CID 132530708) has the molecular formula C14H24O4Si and a molecular weight of 284.43 g/mol. Its IUPAC name is [2-[1-(1,1-dimethyl-3,4-dihydro-2H-silin-5-yl)ethoxy]-2-oxoethyl] propanoate.

Molecular Properties

Compound Name[2-[1-(1,1-dimethyl-3,4-dihydro-2H-silin-5-yl)ethoxy]-2-oxoethyl] propanoate
PubChem CID132530708
Molecular FormulaC14H24O4Si
Molecular Weight284.43 g/mol
Exact Mass284.14
IUPAC Name[2-[1-(1,1-dimethyl-3,4-dihydro-2H-silin-5-yl)ethoxy]-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)OC(C)C1=C[Si](C)(C)CCC1
InChIInChI=1S/C14H24O4Si/c1-5-13(15)17-9-14(16)18-11(2)12-7-6-8-19(3,4)10-12/h10-11H,5-9H2,1-4H3
InChIKeyHNGQGUOIMUZURA-UHFFFAOYSA-N
XLogP2.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(1,1-dimethyl-3,4-dihydro-2H-silin-5-yl)ethoxy]-2-oxoethyl] propanoate?
The IUPAC name of [2-[1-(1,1-dimethyl-3,4-dihydro-2H-silin-5-yl)ethoxy]-2-oxoethyl] propanoate (CID 132530708) is [2-[1-(1,1-dimethyl-3,4-dihydro-2H-silin-5-yl)ethoxy]-2-oxoethyl] propanoate.
What is the SMILES notation for [2-[1-(1,1-dimethyl-3,4-dihydro-2H-silin-5-yl)ethoxy]-2-oxoethyl] propanoate?
The canonical SMILES for [2-[1-(1,1-dimethyl-3,4-dihydro-2H-silin-5-yl)ethoxy]-2-oxoethyl] propanoate is CCC(=O)OCC(=O)OC(C)C1=C[Si](C)(C)CCC1.
What is the InChIKey of [2-[1-(1,1-dimethyl-3,4-dihydro-2H-silin-5-yl)ethoxy]-2-oxoethyl] propanoate?
The InChIKey is HNGQGUOIMUZURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4Si/c1-5-13(15)17-9-14(16)18-11(2)12-7-6-8-19(3,4)10-12/h10-11H,5-9H2,1-4H3.
What are the key properties of [2-[1-(1,1-dimethyl-3,4-dihydro-2H-silin-5-yl)ethoxy]-2-oxoethyl] propanoate?
[2-[1-(1,1-dimethyl-3,4-dihydro-2H-silin-5-yl)ethoxy]-2-oxoethyl] propanoate has a molecular weight of 284.43 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(1,1-dimethyl-3,4-dihydro-2H-silin-5-yl)ethoxy]-2-oxoethyl] propanoate is sourced from PubChem (CID 132530708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).