3-[fluoro(dimethyl)silyl]propyl 3-cyclohexylpropanoate

C14H27FO2Si — CID 174136359

IUPAC3-[fluoro(dimethyl)silyl]propyl 3-cyclohexylpropanoate
SMILESC[Si](C)(F)CCCOC(=O)CCC1CCCCC1
InChIInChI=1S/C14H27FO2Si/c1-18(2,15)12-6-11-17-14(16)10-9-13-7-4-3-5-8-13/h13H,3-12H2,1-2H3
InChIKeyBJZFJFJTVJXVQX-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.45
Rot. Bonds7

About 3-[fluoro(dimethyl)silyl]propyl 3-cyclohexylpropanoate

3-[fluoro(dimethyl)silyl]propyl 3-cyclohexylpropanoate (PubChem CID 174136359) has the molecular formula C14H27FO2Si and a molecular weight of 274.45 g/mol. Its IUPAC name is 3-[fluoro(dimethyl)silyl]propyl 3-cyclohexylpropanoate.

Molecular Properties

Compound Name3-[fluoro(dimethyl)silyl]propyl 3-cyclohexylpropanoate
PubChem CID174136359
Molecular FormulaC14H27FO2Si
Molecular Weight274.45 g/mol
Exact Mass274.18
IUPAC Name3-[fluoro(dimethyl)silyl]propyl 3-cyclohexylpropanoate
SMILESC[Si](C)(F)CCCOC(=O)CCC1CCCCC1
InChIInChI=1S/C14H27FO2Si/c1-18(2,15)12-6-11-17-14(16)10-9-13-7-4-3-5-8-13/h13H,3-12H2,1-2H3
InChIKeyBJZFJFJTVJXVQX-UHFFFAOYSA-N
XLogP4.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.45
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 18686
CID 18686
CID 61466
CID 61466
CID 21595
CID 21595
CID 558234
CID 558234
CID 81040
CID 81040
CID 81041
CID 81041
CID 81222
CID 81222
CID 119761
CID 119761
CID 123565
CID 123565
CID 582160
CID 582160
CID 85993
CID 85993
CID 251210
CID 251210

Frequently Asked Questions

What is the IUPAC name of 3-[fluoro(dimethyl)silyl]propyl 3-cyclohexylpropanoate?
The IUPAC name of 3-[fluoro(dimethyl)silyl]propyl 3-cyclohexylpropanoate (CID 174136359) is 3-[fluoro(dimethyl)silyl]propyl 3-cyclohexylpropanoate.
What is the SMILES notation for 3-[fluoro(dimethyl)silyl]propyl 3-cyclohexylpropanoate?
The canonical SMILES for 3-[fluoro(dimethyl)silyl]propyl 3-cyclohexylpropanoate is C[Si](C)(F)CCCOC(=O)CCC1CCCCC1.
What is the InChIKey of 3-[fluoro(dimethyl)silyl]propyl 3-cyclohexylpropanoate?
The InChIKey is BJZFJFJTVJXVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FO2Si/c1-18(2,15)12-6-11-17-14(16)10-9-13-7-4-3-5-8-13/h13H,3-12H2,1-2H3.
What are the key properties of 3-[fluoro(dimethyl)silyl]propyl 3-cyclohexylpropanoate?
3-[fluoro(dimethyl)silyl]propyl 3-cyclohexylpropanoate has a molecular weight of 274.45 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[fluoro(dimethyl)silyl]propyl 3-cyclohexylpropanoate is sourced from PubChem (CID 174136359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).