4-[tert-butyl(dimethyl)silyl]oxy-1,1,1,3,3-pentafluorobutan-2-ol

C10H19F5O2Si — CID 140769735

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-1,1,1,3,3-pentafluorobutan-2-ol
SMILESCC(C)(C)[Si](C)(C)OCC(F)(F)C(O)C(F)(F)F
InChIInChI=1S/C10H19F5O2Si/c1-8(2,3)18(4,5)17-6-9(11,12)7(16)10(13,14)15/h7,16H,6H2,1-5H3
InChIKeyGJMXEKAZIOSEMD-UHFFFAOYSA-N
MW294.34 g/mol
LogP3.57
Rot. Bonds4

About 4-[tert-butyl(dimethyl)silyl]oxy-1,1,1,3,3-pentafluorobutan-2-ol

4-[tert-butyl(dimethyl)silyl]oxy-1,1,1,3,3-pentafluorobutan-2-ol (PubChem CID 140769735) has the molecular formula C10H19F5O2Si and a molecular weight of 294.34 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-1,1,1,3,3-pentafluorobutan-2-ol.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-1,1,1,3,3-pentafluorobutan-2-ol
PubChem CID140769735
Molecular FormulaC10H19F5O2Si
Molecular Weight294.34 g/mol
Exact Mass294.11
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-1,1,1,3,3-pentafluorobutan-2-ol
SMILESCC(C)(C)[Si](C)(C)OCC(F)(F)C(O)C(F)(F)F
InChIInChI=1S/C10H19F5O2Si/c1-8(2,3)18(4,5)17-6-9(11,12)7(16)10(13,14)15/h7,16H,6H2,1-5H3
InChIKeyGJMXEKAZIOSEMD-UHFFFAOYSA-N
XLogP3.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
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 4-[tert-butyl(dimethyl)silyl]oxy-1,1,1,3,3-pentafluorobutan-2-ol?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1,1,1,3,3-pentafluorobutan-2-ol (CID 140769735) is 4-[tert-butyl(dimethyl)silyl]oxy-1,1,1,3,3-pentafluorobutan-2-ol.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-1,1,1,3,3-pentafluorobutan-2-ol?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-1,1,1,3,3-pentafluorobutan-2-ol is CC(C)(C)[Si](C)(C)OCC(F)(F)C(O)C(F)(F)F.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-1,1,1,3,3-pentafluorobutan-2-ol?
The InChIKey is GJMXEKAZIOSEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F5O2Si/c1-8(2,3)18(4,5)17-6-9(11,12)7(16)10(13,14)15/h7,16H,6H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-1,1,1,3,3-pentafluorobutan-2-ol?
4-[tert-butyl(dimethyl)silyl]oxy-1,1,1,3,3-pentafluorobutan-2-ol has a molecular weight of 294.34 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-1,1,1,3,3-pentafluorobutan-2-ol is sourced from PubChem (CID 140769735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).