3-ethyl-5,5-difluoro-1-[methoxy(dimethyl)silyl]heptan-4-one

C12H24F2O2Si — CID 89114214

IUPAC3-ethyl-5,5-difluoro-1-[methoxy(dimethyl)silyl]heptan-4-one
SMILESCCC(CC[Si](C)(C)OC)C(=O)C(F)(F)CC
InChIInChI=1S/C12H24F2O2Si/c1-6-10(8-9-17(4,5)16-3)11(15)12(13,14)7-2/h10H,6-9H2,1-5H3
InChIKeyHYVMWAJGLHVUAB-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.87
Rot. Bonds8

About 3-ethyl-5,5-difluoro-1-[methoxy(dimethyl)silyl]heptan-4-one

3-ethyl-5,5-difluoro-1-[methoxy(dimethyl)silyl]heptan-4-one (PubChem CID 89114214) has the molecular formula C12H24F2O2Si and a molecular weight of 266.40 g/mol. Its IUPAC name is 3-ethyl-5,5-difluoro-1-[methoxy(dimethyl)silyl]heptan-4-one.

Molecular Properties

Compound Name3-ethyl-5,5-difluoro-1-[methoxy(dimethyl)silyl]heptan-4-one
PubChem CID89114214
Molecular FormulaC12H24F2O2Si
Molecular Weight266.40 g/mol
Exact Mass266.15
IUPAC Name3-ethyl-5,5-difluoro-1-[methoxy(dimethyl)silyl]heptan-4-one
SMILESCCC(CC[Si](C)(C)OC)C(=O)C(F)(F)CC
InChIInChI=1S/C12H24F2O2Si/c1-6-10(8-9-17(4,5)16-3)11(15)12(13,14)7-2/h10H,6-9H2,1-5H3
InChIKeyHYVMWAJGLHVUAB-UHFFFAOYSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-ethyl-5,5-difluoro-1-[methoxy(dimethyl)silyl]heptan-4-one?
The IUPAC name of 3-ethyl-5,5-difluoro-1-[methoxy(dimethyl)silyl]heptan-4-one (CID 89114214) is 3-ethyl-5,5-difluoro-1-[methoxy(dimethyl)silyl]heptan-4-one.
What is the SMILES notation for 3-ethyl-5,5-difluoro-1-[methoxy(dimethyl)silyl]heptan-4-one?
The canonical SMILES for 3-ethyl-5,5-difluoro-1-[methoxy(dimethyl)silyl]heptan-4-one is CCC(CC[Si](C)(C)OC)C(=O)C(F)(F)CC.
What is the InChIKey of 3-ethyl-5,5-difluoro-1-[methoxy(dimethyl)silyl]heptan-4-one?
The InChIKey is HYVMWAJGLHVUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2O2Si/c1-6-10(8-9-17(4,5)16-3)11(15)12(13,14)7-2/h10H,6-9H2,1-5H3.
What are the key properties of 3-ethyl-5,5-difluoro-1-[methoxy(dimethyl)silyl]heptan-4-one?
3-ethyl-5,5-difluoro-1-[methoxy(dimethyl)silyl]heptan-4-one has a molecular weight of 266.40 g/mol, XLogP of 3.87, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,5-difluoro-1-[methoxy(dimethyl)silyl]heptan-4-one is sourced from PubChem (CID 89114214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).