5-[3-fluoropropyl(dimethyl)silyl]oxy-3-methylpent-1-yn-3-ol;1,1,1,2-tetrafluoroethane

C13H23F5O2Si — CID 157235981

IUPAC5-[3-fluoropropyl(dimethyl)silyl]oxy-3-methylpent-1-yn-3-ol;1,1,1,2-tetrafluoroethane
SMILESC#CC(C)(O)CCO[Si](C)(C)CCCF.FCC(F)(F)F
InChIInChI=1S/C11H21FO2Si.C2H2F4/c1-5-11(2,13)7-9-14-15(3,4)10-6-8-12;3-1-2(4,5)6/h1,13H,6-10H2,2-4H3;1H2
InChIKeyAUQGSMYHKYRJDC-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.86
Rot. Bonds7

About 5-[3-fluoropropyl(dimethyl)silyl]oxy-3-methylpent-1-yn-3-ol;1,1,1,2-tetrafluoroethane

5-[3-fluoropropyl(dimethyl)silyl]oxy-3-methylpent-1-yn-3-ol;1,1,1,2-tetrafluoroethane (PubChem CID 157235981) has the molecular formula C13H23F5O2Si and a molecular weight of 334.40 g/mol. Its IUPAC name is 5-[3-fluoropropyl(dimethyl)silyl]oxy-3-methylpent-1-yn-3-ol;1,1,1,2-tetrafluoroethane.

Molecular Properties

Compound Name5-[3-fluoropropyl(dimethyl)silyl]oxy-3-methylpent-1-yn-3-ol;1,1,1,2-tetrafluoroethane
PubChem CID157235981
Molecular FormulaC13H23F5O2Si
Molecular Weight334.40 g/mol
Exact Mass334.14
IUPAC Name5-[3-fluoropropyl(dimethyl)silyl]oxy-3-methylpent-1-yn-3-ol;1,1,1,2-tetrafluoroethane
SMILESC#CC(C)(O)CCO[Si](C)(C)CCCF.FCC(F)(F)F
InChIInChI=1S/C11H21FO2Si.C2H2F4/c1-5-11(2,13)7-9-14-15(3,4)10-6-8-12;3-1-2(4,5)6/h1,13H,6-10H2,2-4H3;1H2
InChIKeyAUQGSMYHKYRJDC-UHFFFAOYSA-N
XLogP3.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoropropyl(dimethyl)silyl]oxy-3-methylpent-1-yn-3-ol;1,1,1,2-tetrafluoroethane?
The IUPAC name of 5-[3-fluoropropyl(dimethyl)silyl]oxy-3-methylpent-1-yn-3-ol;1,1,1,2-tetrafluoroethane (CID 157235981) is 5-[3-fluoropropyl(dimethyl)silyl]oxy-3-methylpent-1-yn-3-ol;1,1,1,2-tetrafluoroethane.
What is the SMILES notation for 5-[3-fluoropropyl(dimethyl)silyl]oxy-3-methylpent-1-yn-3-ol;1,1,1,2-tetrafluoroethane?
The canonical SMILES for 5-[3-fluoropropyl(dimethyl)silyl]oxy-3-methylpent-1-yn-3-ol;1,1,1,2-tetrafluoroethane is C#CC(C)(O)CCO[Si](C)(C)CCCF.FCC(F)(F)F.
What is the InChIKey of 5-[3-fluoropropyl(dimethyl)silyl]oxy-3-methylpent-1-yn-3-ol;1,1,1,2-tetrafluoroethane?
The InChIKey is AUQGSMYHKYRJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FO2Si.C2H2F4/c1-5-11(2,13)7-9-14-15(3,4)10-6-8-12;3-1-2(4,5)6/h1,13H,6-10H2,2-4H3;1H2.
What are the key properties of 5-[3-fluoropropyl(dimethyl)silyl]oxy-3-methylpent-1-yn-3-ol;1,1,1,2-tetrafluoroethane?
5-[3-fluoropropyl(dimethyl)silyl]oxy-3-methylpent-1-yn-3-ol;1,1,1,2-tetrafluoroethane has a molecular weight of 334.40 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoropropyl(dimethyl)silyl]oxy-3-methylpent-1-yn-3-ol;1,1,1,2-tetrafluoroethane is sourced from PubChem (CID 157235981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).