6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoic acid

C12H25FO3Si — CID 19776884

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoic acid
SMILESCC(C)(C)[Si](C)(C)OCCCCC(F)C(=O)O
InChIInChI=1S/C12H25FO3Si/c1-12(2,3)17(4,5)16-9-7-6-8-10(13)11(14)15/h10H,6-9H2,1-5H3,(H,14,15)
InChIKeyIZVTUBLGBFNOMY-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.60
Rot. Bonds7

About 6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoic acid

6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoic acid (PubChem CID 19776884) has the molecular formula C12H25FO3Si and a molecular weight of 264.41 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoic acid.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoic acid
PubChem CID19776884
Molecular FormulaC12H25FO3Si
Molecular Weight264.41 g/mol
Exact Mass264.16
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoic acid
SMILESCC(C)(C)[Si](C)(C)OCCCCC(F)C(=O)O
InChIInChI=1S/C12H25FO3Si/c1-12(2,3)17(4,5)16-9-7-6-8-10(13)11(14)15/h10H,6-9H2,1-5H3,(H,14,15)
InChIKeyIZVTUBLGBFNOMY-UHFFFAOYSA-N
XLogP3.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
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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Related Compounds

6-[(Tert-butyldimethylsilyl)oxy]hexanoic acid
CID 12717311
6-[(Tert-butyldimethylsilyl)oxy]heptanoic acid
CID 132608059
Heptanoic acid, 7-t-butyldimethylsilyloxy-
CID 554796
Methyl 6-(tert-butyldimethylsilyloxy)hexanoate
CID 11747359
Ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoate
CID 13320647
2-[Tert-butyl(dimethyl)silyl]-5-fluoropentanoic acid
CID 87739175
5-[Tert-butyl(dimethyl)silyl]oxy-4,4-difluoropentanoic acid
CID 175444344
6-Tri(propan-2-yl)silyloxyhexanoic acid
CID 86087422
6-(Trimethylsilyl)hexanoic acid
CID 262866
methyl (2S)-7-[tert-butyl(dimethyl)silyl]oxy-2-fluoroheptanoate
CID 99770877
methyl (2R)-7-[tert-butyl(dimethyl)silyl]oxy-2-fluoroheptanoate
CID 99770878
Methyl 7-(tert-butyldimethylsilyloxy)-2-fluoroheptanoate
CID 121521912

Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoic acid?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoic acid (CID 19776884) is 6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoic acid.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoic acid?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoic acid is CC(C)(C)[Si](C)(C)OCCCCC(F)C(=O)O.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoic acid?
The InChIKey is IZVTUBLGBFNOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FO3Si/c1-12(2,3)17(4,5)16-9-7-6-8-10(13)11(14)15/h10H,6-9H2,1-5H3,(H,14,15).
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoic acid?
6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoic acid has a molecular weight of 264.41 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoic acid is sourced from PubChem (CID 19776884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).