[2-[ditert-butyl(fluoro)silyl]oxy-4-hydroxybutyl] acetate

C14H29FO4Si — CID 11823004

IUPAC[2-[ditert-butyl(fluoro)silyl]oxy-4-hydroxybutyl] acetate
SMILESCC(=O)OCC(CCO)O[Si](F)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H29FO4Si/c1-11(17)18-10-12(8-9-16)19-20(15,13(2,3)4)14(5,6)7/h12,16H,8-10H2,1-7H3
InChIKeyMPPDOAIQZMZGSM-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.33
Rot. Bonds6

About [2-[ditert-butyl(fluoro)silyl]oxy-4-hydroxybutyl] acetate

[2-[ditert-butyl(fluoro)silyl]oxy-4-hydroxybutyl] acetate (PubChem CID 11823004) has the molecular formula C14H29FO4Si and a molecular weight of 308.47 g/mol. Its IUPAC name is [2-[ditert-butyl(fluoro)silyl]oxy-4-hydroxybutyl] acetate.

Molecular Properties

Compound Name[2-[ditert-butyl(fluoro)silyl]oxy-4-hydroxybutyl] acetate
PubChem CID11823004
Molecular FormulaC14H29FO4Si
Molecular Weight308.47 g/mol
Exact Mass308.18
IUPAC Name[2-[ditert-butyl(fluoro)silyl]oxy-4-hydroxybutyl] acetate
SMILESCC(=O)OCC(CCO)O[Si](F)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H29FO4Si/c1-11(17)18-10-12(8-9-16)19-20(15,13(2,3)4)14(5,6)7/h12,16H,8-10H2,1-7H3
InChIKeyMPPDOAIQZMZGSM-UHFFFAOYSA-N
XLogP3.33
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[ditert-butyl(fluoro)silyl]oxy-4-hydroxybutyl] acetate?
The IUPAC name of [2-[ditert-butyl(fluoro)silyl]oxy-4-hydroxybutyl] acetate (CID 11823004) is [2-[ditert-butyl(fluoro)silyl]oxy-4-hydroxybutyl] acetate.
What is the SMILES notation for [2-[ditert-butyl(fluoro)silyl]oxy-4-hydroxybutyl] acetate?
The canonical SMILES for [2-[ditert-butyl(fluoro)silyl]oxy-4-hydroxybutyl] acetate is CC(=O)OCC(CCO)O[Si](F)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of [2-[ditert-butyl(fluoro)silyl]oxy-4-hydroxybutyl] acetate?
The InChIKey is MPPDOAIQZMZGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FO4Si/c1-11(17)18-10-12(8-9-16)19-20(15,13(2,3)4)14(5,6)7/h12,16H,8-10H2,1-7H3.
What are the key properties of [2-[ditert-butyl(fluoro)silyl]oxy-4-hydroxybutyl] acetate?
[2-[ditert-butyl(fluoro)silyl]oxy-4-hydroxybutyl] acetate has a molecular weight of 308.47 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ditert-butyl(fluoro)silyl]oxy-4-hydroxybutyl] acetate is sourced from PubChem (CID 11823004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).