Propanoic acid,3-(trimethylsilyl)-,ethyl ester

• CAS: 17728-88-0
• Catalog Number: ACM17728880
• Category: Other Organosilicon
• Molecular Weight: 174.31
• Molecular Formula: C₈H₁₈O₂Si
• Synonyms: NCIOpen2_001851, 92787_ALDRICH, Ethyl 3-(trimethylsilyl)propanoate, 92787_FLUKA, MolPort-003-939-750, Ethyl 3-(trimethylsilyl)propionate, NSC96818, CID262852, Propanoic acid, 3-(trimethylsilyl)-, ethyl ester, 17728-88-0
• IUPAC Name: ethyl 3-trimethylsilylpropanoate
• SMILES: CCOC(=O)CC[Si](C)(C)C
• InChI Key: JCANPYOQOFSGFD-UHFFFAOYSA-N
• Boiling Point: 180ºC at 760mmHg
• Melting Point: 178-180ºC
• Flash Point: 53.9ºC
• Density: 0.872g/cm³
• Appearance: Transparent liquid
• Exact Mass: 174.10800
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Packing Group: III
• Safety Description: 23-24/25

Custom Q&A

What is the molecular formula of ethyl 3-(trimethylsilyl)propionate?

The molecular formula is C8H18O2Si.

What is the IUPAC name of ethyl 3-(trimethylsilyl)propionate?

The IUPAC name is ethyl 3-trimethylsilylpropanoate.

What is the InChI of ethyl 3-(trimethylsilyl)propionate?

The InChI is InChI=1S/C8H18O2Si/c1-5-10-8(9)6-7-11(2,3)4/h5-7H2,1-4H3.

What is the InChIKey of ethyl 3-(trimethylsilyl)propionate?

The InChIKey is JCANPYOQOFSGFD-UHFFFAOYSA-N.

What is the canonical SMILES of ethyl 3-(trimethylsilyl)propionate?

The canonical SMILES is CCOC(=O)CC[Si](C)(C)C.

What is the CAS number of ethyl 3-(trimethylsilyl)propionate?

The CAS number is 17728-88-0.

How many hydrogen bond acceptor counts does ethyl 3-(trimethylsilyl)propionate have?

It has 2 hydrogen bond acceptor counts.

What is the topological polar surface area of ethyl 3-(trimethylsilyl)propionate?

The topological polar surface area is 26.3Ų.

How many rotatable bond counts does ethyl 3-(trimethylsilyl)propionate have?

It has 5 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized according to PubChem.