ethyl 1-(trifluoromethyl)-4-trimethylsilyloxycyclohexane-1-carboxylate

C13H23F3O3Si — CID 175510042

IUPACethyl 1-(trifluoromethyl)-4-trimethylsilyloxycyclohexane-1-carboxylate
SMILESCCOC(=O)C1(C(F)(F)F)CCC(O[Si](C)(C)C)CC1
InChIInChI=1S/C13H23F3O3Si/c1-5-18-11(17)12(13(14,15)16)8-6-10(7-9-12)19-20(2,3)4/h10H,5-9H2,1-4H3
InChIKeyOSORRYSQHIREGH-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.89
Rot. Bonds4

About ethyl 1-(trifluoromethyl)-4-trimethylsilyloxycyclohexane-1-carboxylate

ethyl 1-(trifluoromethyl)-4-trimethylsilyloxycyclohexane-1-carboxylate (PubChem CID 175510042) has the molecular formula C13H23F3O3Si and a molecular weight of 312.40 g/mol. Its IUPAC name is ethyl 1-(trifluoromethyl)-4-trimethylsilyloxycyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(trifluoromethyl)-4-trimethylsilyloxycyclohexane-1-carboxylate
PubChem CID175510042
Molecular FormulaC13H23F3O3Si
Molecular Weight312.40 g/mol
Exact Mass312.14
IUPAC Nameethyl 1-(trifluoromethyl)-4-trimethylsilyloxycyclohexane-1-carboxylate
SMILESCCOC(=O)C1(C(F)(F)F)CCC(O[Si](C)(C)C)CC1
InChIInChI=1S/C13H23F3O3Si/c1-5-18-11(17)12(13(14,15)16)8-6-10(7-9-12)19-20(2,3)4/h10H,5-9H2,1-4H3
InChIKeyOSORRYSQHIREGH-UHFFFAOYSA-N
XLogP3.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 ethyl 1-(trifluoromethyl)-4-trimethylsilyloxycyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-(trifluoromethyl)-4-trimethylsilyloxycyclohexane-1-carboxylate (CID 175510042) is ethyl 1-(trifluoromethyl)-4-trimethylsilyloxycyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-(trifluoromethyl)-4-trimethylsilyloxycyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-(trifluoromethyl)-4-trimethylsilyloxycyclohexane-1-carboxylate is CCOC(=O)C1(C(F)(F)F)CCC(O[Si](C)(C)C)CC1.
What is the InChIKey of ethyl 1-(trifluoromethyl)-4-trimethylsilyloxycyclohexane-1-carboxylate?
The InChIKey is OSORRYSQHIREGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3O3Si/c1-5-18-11(17)12(13(14,15)16)8-6-10(7-9-12)19-20(2,3)4/h10H,5-9H2,1-4H3.
What are the key properties of ethyl 1-(trifluoromethyl)-4-trimethylsilyloxycyclohexane-1-carboxylate?
ethyl 1-(trifluoromethyl)-4-trimethylsilyloxycyclohexane-1-carboxylate has a molecular weight of 312.40 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(trifluoromethyl)-4-trimethylsilyloxycyclohexane-1-carboxylate is sourced from PubChem (CID 175510042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).