3-[difluoro(methyl)silyl]propyl 3-cyclohexylpropanoate

C13H24F2O2Si — CID 174136188

IUPAC3-[difluoro(methyl)silyl]propyl 3-cyclohexylpropanoate
SMILESC[Si](F)(F)CCCOC(=O)CCC1CCCCC1
InChIInChI=1S/C13H24F2O2Si/c1-18(14,15)11-5-10-17-13(16)9-8-12-6-3-2-4-7-12/h12H,2-11H2,1H3
InChIKeyXELCBBHVYAYVHT-UHFFFAOYSA-N
MW278.41 g/mol
LogP4.29
Rot. Bonds7

About 3-[difluoro(methyl)silyl]propyl 3-cyclohexylpropanoate

3-[difluoro(methyl)silyl]propyl 3-cyclohexylpropanoate (PubChem CID 174136188) has the molecular formula C13H24F2O2Si and a molecular weight of 278.41 g/mol. Its IUPAC name is 3-[difluoro(methyl)silyl]propyl 3-cyclohexylpropanoate.

Molecular Properties

Compound Name3-[difluoro(methyl)silyl]propyl 3-cyclohexylpropanoate
PubChem CID174136188
Molecular FormulaC13H24F2O2Si
Molecular Weight278.41 g/mol
Exact Mass278.15
IUPAC Name3-[difluoro(methyl)silyl]propyl 3-cyclohexylpropanoate
SMILESC[Si](F)(F)CCCOC(=O)CCC1CCCCC1
InChIInChI=1S/C13H24F2O2Si/c1-18(14,15)11-5-10-17-13(16)9-8-12-6-3-2-4-7-12/h12H,2-11H2,1H3
InChIKeyXELCBBHVYAYVHT-UHFFFAOYSA-N
XLogP4.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 61466
CID 61466
CID 21595
CID 21595
CID 582160
CID 582160
CID 251210
CID 251210
CID 91924
CID 91924
CID 10900130
CID 10900130
CID 14437988
CID 14437988
CID 134919364
CID 134919364
CID 134989070
CID 134989070
CID 10631464
CID 10631464
CID 58568377
CID 58568377
CID 59304597
CID 59304597

Frequently Asked Questions

What is the IUPAC name of 3-[difluoro(methyl)silyl]propyl 3-cyclohexylpropanoate?
The IUPAC name of 3-[difluoro(methyl)silyl]propyl 3-cyclohexylpropanoate (CID 174136188) is 3-[difluoro(methyl)silyl]propyl 3-cyclohexylpropanoate.
What is the SMILES notation for 3-[difluoro(methyl)silyl]propyl 3-cyclohexylpropanoate?
The canonical SMILES for 3-[difluoro(methyl)silyl]propyl 3-cyclohexylpropanoate is C[Si](F)(F)CCCOC(=O)CCC1CCCCC1.
What is the InChIKey of 3-[difluoro(methyl)silyl]propyl 3-cyclohexylpropanoate?
The InChIKey is XELCBBHVYAYVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2O2Si/c1-18(14,15)11-5-10-17-13(16)9-8-12-6-3-2-4-7-12/h12H,2-11H2,1H3.
What are the key properties of 3-[difluoro(methyl)silyl]propyl 3-cyclohexylpropanoate?
3-[difluoro(methyl)silyl]propyl 3-cyclohexylpropanoate has a molecular weight of 278.41 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[difluoro(methyl)silyl]propyl 3-cyclohexylpropanoate is sourced from PubChem (CID 174136188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).