ethyl 3-silylpropanoate

C5H12O2Si — CID 123980878

IUPACethyl 3-silylpropanoate
SMILESCCOC(=O)CC[SiH3]
InChIInChI=1S/C5H12O2Si/c1-2-7-5(6)3-4-8/h2-4H2,1,8H3
InChIKeyIDSYLNVXAHIWGM-UHFFFAOYSA-N
MW132.24 g/mol
LogP-0.28
Rot. Bonds3

About ethyl 3-silylpropanoate

ethyl 3-silylpropanoate (PubChem CID 123980878) has the molecular formula C5H12O2Si and a molecular weight of 132.24 g/mol. Its IUPAC name is ethyl 3-silylpropanoate.

Molecular Properties

Compound Nameethyl 3-silylpropanoate
PubChem CID123980878
Molecular FormulaC5H12O2Si
Molecular Weight132.24 g/mol
Exact Mass132.06
IUPAC Nameethyl 3-silylpropanoate
SMILESCCOC(=O)CC[SiH3]
InChIInChI=1S/C5H12O2Si/c1-2-7-5(6)3-4-8/h2-4H2,1,8H3
InChIKeyIDSYLNVXAHIWGM-UHFFFAOYSA-N
XLogP-0.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.24
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (1,2-13C2)butanoate
CID 157463359
diethyl hexanedioate
CID 160747628
ethyl butanoate
CID 7762
ethyl 3-hydroxypropanoate
CID 160663371
diethyl icosanedioate
CID 5058538
ethyl 3-sulfanylpropanoate
CID 21625
CID 135037216
CID 135037216
ethyl 3-iodopropanoate
CID 10911297
CID 88852626
CID 88852626
4-O-ethyl 1-O-methyl butanedioate
CID 522068
CID 136749907
CID 136749907
CID 88807470
CID 88807470

Frequently Asked Questions

What is the IUPAC name of ethyl 3-silylpropanoate?
The IUPAC name of ethyl 3-silylpropanoate (CID 123980878) is ethyl 3-silylpropanoate.
What is the SMILES notation for ethyl 3-silylpropanoate?
The canonical SMILES for ethyl 3-silylpropanoate is CCOC(=O)CC[SiH3].
What is the InChIKey of ethyl 3-silylpropanoate?
The InChIKey is IDSYLNVXAHIWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2Si/c1-2-7-5(6)3-4-8/h2-4H2,1,8H3.
What are the key properties of ethyl 3-silylpropanoate?
ethyl 3-silylpropanoate has a molecular weight of 132.24 g/mol, XLogP of -0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-silylpropanoate is sourced from PubChem (CID 123980878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).