5-dimethylsilyl-1,1,1-trifluoro-2-methylpentan-2-ol

C8H17F3OSi — CID 147548422

IUPAC5-dimethylsilyl-1,1,1-trifluoro-2-methylpentan-2-ol
SMILESC[SiH](C)CCCC(C)(O)C(F)(F)F
InChIInChI=1S/C8H17F3OSi/c1-7(12,8(9,10)11)5-4-6-13(2)3/h12-13H,4-6H2,1-3H3
InChIKeyFQHFLWSBRMMOBD-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.57
Rot. Bonds4

About 5-dimethylsilyl-1,1,1-trifluoro-2-methylpentan-2-ol

5-dimethylsilyl-1,1,1-trifluoro-2-methylpentan-2-ol (PubChem CID 147548422) has the molecular formula C8H17F3OSi and a molecular weight of 214.30 g/mol. Its IUPAC name is 5-dimethylsilyl-1,1,1-trifluoro-2-methylpentan-2-ol.

Molecular Properties

Compound Name5-dimethylsilyl-1,1,1-trifluoro-2-methylpentan-2-ol
PubChem CID147548422
Molecular FormulaC8H17F3OSi
Molecular Weight214.30 g/mol
Exact Mass214.10
IUPAC Name5-dimethylsilyl-1,1,1-trifluoro-2-methylpentan-2-ol
SMILESC[SiH](C)CCCC(C)(O)C(F)(F)F
InChIInChI=1S/C8H17F3OSi/c1-7(12,8(9,10)11)5-4-6-13(2)3/h12-13H,4-6H2,1-3H3
InChIKeyFQHFLWSBRMMOBD-UHFFFAOYSA-N
XLogP2.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 5-dimethylsilyl-1,1,1-trifluoro-2-methylpentan-2-ol?
The IUPAC name of 5-dimethylsilyl-1,1,1-trifluoro-2-methylpentan-2-ol (CID 147548422) is 5-dimethylsilyl-1,1,1-trifluoro-2-methylpentan-2-ol.
What is the SMILES notation for 5-dimethylsilyl-1,1,1-trifluoro-2-methylpentan-2-ol?
The canonical SMILES for 5-dimethylsilyl-1,1,1-trifluoro-2-methylpentan-2-ol is C[SiH](C)CCCC(C)(O)C(F)(F)F.
What is the InChIKey of 5-dimethylsilyl-1,1,1-trifluoro-2-methylpentan-2-ol?
The InChIKey is FQHFLWSBRMMOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3OSi/c1-7(12,8(9,10)11)5-4-6-13(2)3/h12-13H,4-6H2,1-3H3.
What are the key properties of 5-dimethylsilyl-1,1,1-trifluoro-2-methylpentan-2-ol?
5-dimethylsilyl-1,1,1-trifluoro-2-methylpentan-2-ol has a molecular weight of 214.30 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dimethylsilyl-1,1,1-trifluoro-2-methylpentan-2-ol is sourced from PubChem (CID 147548422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).