(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorobutane-1,4-diol

C11H24F2O3Si — CID 135041139

IUPAC(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorobutane-1,4-diol
SMILESCC(C)(C)[Si](C)(C)OC[C@H](CO)C(F)(F)CO
InChIInChI=1S/C11H24F2O3Si/c1-10(2,3)17(4,5)16-7-9(6-14)11(12,13)8-15/h9,14-15H,6-8H2,1-5H3/t9-/m0/s1
InChIKeyGRIWVMDJWLUKQA-VIFPVBQESA-N
MW270.39 g/mol
LogP2.24
Rot. Bonds6

About (3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorobutane-1,4-diol

(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorobutane-1,4-diol (PubChem CID 135041139) has the molecular formula C11H24F2O3Si and a molecular weight of 270.39 g/mol. Its IUPAC name is (3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorobutane-1,4-diol.

Molecular Properties

Compound Name(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorobutane-1,4-diol
PubChem CID135041139
Molecular FormulaC11H24F2O3Si
Molecular Weight270.39 g/mol
Exact Mass270.15
IUPAC Name(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorobutane-1,4-diol
SMILESCC(C)(C)[Si](C)(C)OC[C@H](CO)C(F)(F)CO
InChIInChI=1S/C11H24F2O3Si/c1-10(2,3)17(4,5)16-7-9(6-14)11(12,13)8-15/h9,14-15H,6-8H2,1-5H3/t9-/m0/s1
InChIKeyGRIWVMDJWLUKQA-VIFPVBQESA-N
XLogP2.24
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.39
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[Tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol
CID 21838746
4-[(Tert-butyldimethylsilyl)oxy]-3-methylbutan-1-ol
CID 72951988
4-[Tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorobutan-2-ol
CID 85611637
(2S)-4-{[tert-Butyl(dimethyl)silyl]oxy}-2-methylbutan-1-ol
CID 16050209
(R,S)-3-(tert-Butyl-dimethyl-silanyloxy)-4,4,4-trifluoro-butan-1-ol
CID 10801202
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutan-1-ol
CID 11521739
3-((tert-Butyldimethylsilyl)oxy)-2,2-difluoropropan-1-ol
CID 57927605
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoropropan-1-ol
CID 59156450
3-[Butyl(dimethyl)silyl]oxy-2,2-difluoropropan-1-ol
CID 91467778
4-[Tert-butyl(dimethyl)silyl]oxy-1,1,1,3,3-pentafluorobutan-2-ol
CID 140769735
4-[Tert-butyl(dimethyl)silyl]oxy-3,3-difluorobutan-2-ol
CID 157193869
[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol
CID 166561250

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorobutane-1,4-diol?
The IUPAC name of (3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorobutane-1,4-diol (CID 135041139) is (3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorobutane-1,4-diol.
What is the SMILES notation for (3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorobutane-1,4-diol?
The canonical SMILES for (3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorobutane-1,4-diol is CC(C)(C)[Si](C)(C)OC[C@H](CO)C(F)(F)CO.
What is the InChIKey of (3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorobutane-1,4-diol?
The InChIKey is GRIWVMDJWLUKQA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H24F2O3Si/c1-10(2,3)17(4,5)16-7-9(6-14)11(12,13)8-15/h9,14-15H,6-8H2,1-5H3/t9-/m0/s1.
What are the key properties of (3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorobutane-1,4-diol?
(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorobutane-1,4-diol has a molecular weight of 270.39 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-difluorobutane-1,4-diol is sourced from PubChem (CID 135041139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).