Ethyl 4-(Triethoxysilyl)Benzoate

• CAS: 197662-64-9
• Catalog Number: ACM197662649
• Category: Siloxanes
• Molecular Weight: 312.44 g/mol
• Molecular Formula: C15H24O5Si
• Synonyms: 4-(tert-butyl-dimethyl-silanyloxy)-cyclohexanecarboxylic acid ethyl ester; ethyl 1,2,4,5-tertafluoro-3-methoxybenzene; Ethyl (cis/trans)-4-<(tert-butyldimethylsilyl)oxy>cyclohexanecarboxylate; cis/trans-ethyl{[(1,1-dimethylethyl)(dimethyl)silyl]oxy}cyclohexanecarboxylate; ethyl 4-(triethoxysilyl)benzoate; ethyl cis/trans-4-{[(1,1-dimethylethyl)(dimethyl)silyl]oxy}cyclohexanecarboxylate; cis/trans-ethyl 4-([(1,1-dimethylethyl)(dimethyl)silyl]oxy)cyclohexanecarboxylate; ethyl 4-(tert-butyldimethylsilyloxy)cyclohexanecarboxylate
• IUPAC Name: ethyl4-triethoxysilylbenzoate
• Canonical SMILES: CCOC(=O)C1=CC=C(C=C1)[Si](OCC)(OCC)OCC
• InChI Key: IYBIDUBBUBVKMU-UHFFFAOYSA-N
• Boiling Point: 334.635ºC at 760 mmHg
• Flash Point: 129.813ºC
• Density: 1.06g/cm³
• Appearance: Transparent liquid
• Exact Mass: 312.13900
• Packaging: 10 g; 100 g

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is ethyl 4-triethoxysilylbenzoate.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C15H24O5Si/c1-5-17-15(16)13-9-11-14(12-10-13)21(18-6-2,19-7-3)20-8-4/h9-12H,5-8H2,1-4H3.

What is the InChIKey of the compound?

The InChIKey of the compound is IYBIDUBBUBVKMU-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CCOC(=O)C1=CC=C(C=C1)[Si](OCC)(OCC)OCC.

What is the molecular formula of the compound?

The molecular formula of the compound is C15H24O5Si.

What is the molecular weight of the compound?

The molecular weight of the compound is 312.43 g/mol.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 5 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 10 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.