ethyl 3-(diethoxymethylsilyl)propanoate

C10H22O4Si — CID 154146621

IUPACethyl 3-(diethoxymethylsilyl)propanoate
SMILESCCOC(=O)CC[SiH2]C(OCC)OCC
InChIInChI=1S/C10H22O4Si/c1-4-12-9(11)7-8-15-10(13-5-2)14-6-3/h10H,4-8,15H2,1-3H3
InChIKeyYUIJFFRQBBVKOG-UHFFFAOYSA-N
MW234.37 g/mol
LogP0.88
Rot. Bonds9

About ethyl 3-(diethoxymethylsilyl)propanoate

ethyl 3-(diethoxymethylsilyl)propanoate (PubChem CID 154146621) has the molecular formula C10H22O4Si and a molecular weight of 234.37 g/mol. Its IUPAC name is ethyl 3-(diethoxymethylsilyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(diethoxymethylsilyl)propanoate
PubChem CID154146621
Molecular FormulaC10H22O4Si
Molecular Weight234.37 g/mol
Exact Mass234.13
IUPAC Nameethyl 3-(diethoxymethylsilyl)propanoate
SMILESCCOC(=O)CC[SiH2]C(OCC)OCC
InChIInChI=1S/C10H22O4Si/c1-4-12-9(11)7-8-15-10(13-5-2)14-6-3/h10H,4-8,15H2,1-3H3
InChIKeyYUIJFFRQBBVKOG-UHFFFAOYSA-N
XLogP0.88
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 50.88
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

3-(diethoxymethylsilyl)propyl hydrogen carbonate
CID 173009319
diethoxymethyl-[3-(diethoxymethylsilyl)propyl]silane
CID 123160083
ethyl 5-ethoxy-4-oxohexanoate
CID 66324240
ethyl (1,2-13C2)butanoate
CID 157463359
diethyl hexanedioate
CID 160747628
ethyl butanoate
CID 7762
diethyl 4-acetylheptanedioate
CID 15669145
ethyl (Z)-4-(diethoxymethyl)hex-4-enoate
CID 24977307
1,1-diethoxyethane;ethyl 4-oxopentanoate
CID 139559403
ethyl 3-hydroxypropanoate
CID 160663371
diethyl icosanedioate
CID 5058538
5-O-ethyl 1-O-methyl 2-ethoxypentanedioate
CID 172723859

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(diethoxymethylsilyl)propanoate?
The IUPAC name of ethyl 3-(diethoxymethylsilyl)propanoate (CID 154146621) is ethyl 3-(diethoxymethylsilyl)propanoate.
What is the SMILES notation for ethyl 3-(diethoxymethylsilyl)propanoate?
The canonical SMILES for ethyl 3-(diethoxymethylsilyl)propanoate is CCOC(=O)CC[SiH2]C(OCC)OCC.
What is the InChIKey of ethyl 3-(diethoxymethylsilyl)propanoate?
The InChIKey is YUIJFFRQBBVKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4Si/c1-4-12-9(11)7-8-15-10(13-5-2)14-6-3/h10H,4-8,15H2,1-3H3.
What are the key properties of ethyl 3-(diethoxymethylsilyl)propanoate?
ethyl 3-(diethoxymethylsilyl)propanoate has a molecular weight of 234.37 g/mol, XLogP of 0.88, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(diethoxymethylsilyl)propanoate is sourced from PubChem (CID 154146621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).