cyclohexyl 3-[difluoro(methyl)silyl]propanoate

C10H18F2O2Si — CID 174136176

IUPACcyclohexyl 3-[difluoro(methyl)silyl]propanoate
SMILESC[Si](F)(F)CCC(=O)OC1CCCCC1
InChIInChI=1S/C10H18F2O2Si/c1-15(11,12)8-7-10(13)14-9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyWPPIEDAOBHSJIJ-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.26
Rot. Bonds4

About cyclohexyl 3-[difluoro(methyl)silyl]propanoate

cyclohexyl 3-[difluoro(methyl)silyl]propanoate (PubChem CID 174136176) has the molecular formula C10H18F2O2Si and a molecular weight of 236.33 g/mol. Its IUPAC name is cyclohexyl 3-[difluoro(methyl)silyl]propanoate.

Molecular Properties

Compound Namecyclohexyl 3-[difluoro(methyl)silyl]propanoate
PubChem CID174136176
Molecular FormulaC10H18F2O2Si
Molecular Weight236.33 g/mol
Exact Mass236.10
IUPAC Namecyclohexyl 3-[difluoro(methyl)silyl]propanoate
SMILESC[Si](F)(F)CCC(=O)OC1CCCCC1
InChIInChI=1S/C10H18F2O2Si/c1-15(11,12)8-7-10(13)14-9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyWPPIEDAOBHSJIJ-UHFFFAOYSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexyl 2,2-difluoro-2-trimethylsilylacetate
CID 101568451
6-[Fluoro(dimethyl)silyl]hexyl butanoate
CID 89675065
Hexyl 3-[fluoro(dimethyl)silyl]propanoate
CID 89675190
3-[Fluoro(dimethyl)silyl]hexyl propanoate
CID 89675200
Hexyl 4-[fluoro(dimethyl)silyl]butanoate
CID 89675242
Hexyl 2-[fluoro(dimethyl)silyl]acetate
CID 89675392
3-[Fluoro(dimethyl)silyl]hexyl acetate
CID 89675679
(4-Trimethylsilyloxycyclohexyl) 2,2-difluoropropanoate
CID 174125211
Hexyl 3-trifluorosilylpropanoate
CID 174136073
Cyclohexyl 3-trifluorosilylpropanoate
CID 174136080
Cyclohexyl 2-methyl-3-trifluorosilylpropanoate
CID 174136081
Hexyl 3-[difluoro(methyl)silyl]propanoate
CID 174136171

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 3-[difluoro(methyl)silyl]propanoate?
The IUPAC name of cyclohexyl 3-[difluoro(methyl)silyl]propanoate (CID 174136176) is cyclohexyl 3-[difluoro(methyl)silyl]propanoate.
What is the SMILES notation for cyclohexyl 3-[difluoro(methyl)silyl]propanoate?
The canonical SMILES for cyclohexyl 3-[difluoro(methyl)silyl]propanoate is C[Si](F)(F)CCC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 3-[difluoro(methyl)silyl]propanoate?
The InChIKey is WPPIEDAOBHSJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O2Si/c1-15(11,12)8-7-10(13)14-9-5-3-2-4-6-9/h9H,2-8H2,1H3.
What are the key properties of cyclohexyl 3-[difluoro(methyl)silyl]propanoate?
cyclohexyl 3-[difluoro(methyl)silyl]propanoate has a molecular weight of 236.33 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 3-[difluoro(methyl)silyl]propanoate is sourced from PubChem (CID 174136176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).