6-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorohexan-2-one

C12H23F3O2Si — CID 19793848

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorohexan-2-one
SMILESCC(C)(C)[Si](C)(C)OCCCCC(=O)C(F)(F)F
InChIInChI=1S/C12H23F3O2Si/c1-11(2,3)18(4,5)17-9-7-6-8-10(16)12(13,14)15/h6-9H2,1-5H3
InChIKeyUPGFIRJWVCZFPN-UHFFFAOYSA-N
MW284.39 g/mol
LogP4.31
Rot. Bonds6

About 6-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorohexan-2-one

6-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorohexan-2-one (PubChem CID 19793848) has the molecular formula C12H23F3O2Si and a molecular weight of 284.39 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorohexan-2-one.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorohexan-2-one
PubChem CID19793848
Molecular FormulaC12H23F3O2Si
Molecular Weight284.39 g/mol
Exact Mass284.14
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorohexan-2-one
SMILESCC(C)(C)[Si](C)(C)OCCCCC(=O)C(F)(F)F
InChIInChI=1S/C12H23F3O2Si/c1-11(2,3)18(4,5)17-9-7-6-8-10(16)12(13,14)15/h6-9H2,1-5H3
InChIKeyUPGFIRJWVCZFPN-UHFFFAOYSA-N
XLogP4.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 54.31
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'}

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Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorohexan-2-one?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorohexan-2-one (CID 19793848) is 6-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorohexan-2-one.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorohexan-2-one?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorohexan-2-one is CC(C)(C)[Si](C)(C)OCCCCC(=O)C(F)(F)F.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorohexan-2-one?
The InChIKey is UPGFIRJWVCZFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3O2Si/c1-11(2,3)18(4,5)17-9-7-6-8-10(16)12(13,14)15/h6-9H2,1-5H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorohexan-2-one?
6-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorohexan-2-one has a molecular weight of 284.39 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorohexan-2-one is sourced from PubChem (CID 19793848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).