[3-[ditert-butyl(fluoro)silyl]oxy-5-hydroxypentyl] acetate

C15H31FO4Si — CID 11120846

IUPAC[3-[ditert-butyl(fluoro)silyl]oxy-5-hydroxypentyl] acetate
SMILESCC(=O)OCCC(CCO)O[Si](F)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H31FO4Si/c1-12(18)19-11-9-13(8-10-17)20-21(16,14(2,3)4)15(5,6)7/h13,17H,8-11H2,1-7H3
InChIKeyYSFFDYJTWSTDEH-UHFFFAOYSA-N
MW322.49 g/mol
LogP3.72
Rot. Bonds7

About [3-[ditert-butyl(fluoro)silyl]oxy-5-hydroxypentyl] acetate

[3-[ditert-butyl(fluoro)silyl]oxy-5-hydroxypentyl] acetate (PubChem CID 11120846) has the molecular formula C15H31FO4Si and a molecular weight of 322.49 g/mol. Its IUPAC name is [3-[ditert-butyl(fluoro)silyl]oxy-5-hydroxypentyl] acetate.

Molecular Properties

Compound Name[3-[ditert-butyl(fluoro)silyl]oxy-5-hydroxypentyl] acetate
PubChem CID11120846
Molecular FormulaC15H31FO4Si
Molecular Weight322.49 g/mol
Exact Mass322.20
IUPAC Name[3-[ditert-butyl(fluoro)silyl]oxy-5-hydroxypentyl] acetate
SMILESCC(=O)OCCC(CCO)O[Si](F)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H31FO4Si/c1-12(18)19-11-9-13(8-10-17)20-21(16,14(2,3)4)15(5,6)7/h13,17H,8-11H2,1-7H3
InChIKeyYSFFDYJTWSTDEH-UHFFFAOYSA-N
XLogP3.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.72
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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Related Compounds

[2-[Ditert-butyl(fluoro)silyl]oxy-4-hydroxybutyl] acetate
CID 11823004
(3R)-3-(Tert-butyldimethylsilyloxy)-5-pivaloyloxypentanol
CID 14811571
[5-Acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypentyl] acetate
CID 11001678
[3-[Tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexyl] acetate
CID 174410764
[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl] acetate
CID 10880380
[(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentyl] acetate
CID 10913746
[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentyl] acetate
CID 10945719
[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl] acetate
CID 10978741
[(4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentyl] acetate
CID 11437354
[(2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentan-2-yl] acetate
CID 60194779
[3-[Tert-butyl(dimethyl)silyl]oxy-5-hydroxypentyl] acetate
CID 85341071
ethyl (5S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhept-2-ynoate
CID 102483127

Frequently Asked Questions

What is the IUPAC name of [3-[ditert-butyl(fluoro)silyl]oxy-5-hydroxypentyl] acetate?
The IUPAC name of [3-[ditert-butyl(fluoro)silyl]oxy-5-hydroxypentyl] acetate (CID 11120846) is [3-[ditert-butyl(fluoro)silyl]oxy-5-hydroxypentyl] acetate.
What is the SMILES notation for [3-[ditert-butyl(fluoro)silyl]oxy-5-hydroxypentyl] acetate?
The canonical SMILES for [3-[ditert-butyl(fluoro)silyl]oxy-5-hydroxypentyl] acetate is CC(=O)OCCC(CCO)O[Si](F)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of [3-[ditert-butyl(fluoro)silyl]oxy-5-hydroxypentyl] acetate?
The InChIKey is YSFFDYJTWSTDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31FO4Si/c1-12(18)19-11-9-13(8-10-17)20-21(16,14(2,3)4)15(5,6)7/h13,17H,8-11H2,1-7H3.
What are the key properties of [3-[ditert-butyl(fluoro)silyl]oxy-5-hydroxypentyl] acetate?
[3-[ditert-butyl(fluoro)silyl]oxy-5-hydroxypentyl] acetate has a molecular weight of 322.49 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[ditert-butyl(fluoro)silyl]oxy-5-hydroxypentyl] acetate is sourced from PubChem (CID 11120846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).