[3-[fluoro-bis(trimethylsilyl)silyl]oxy-5-oxopentyl] acetate

C13H29FO4Si3 — CID 10991798

IUPAC[3-[fluoro-bis(trimethylsilyl)silyl]oxy-5-oxopentyl] acetate
SMILESCC(=O)OCCC(CC=O)O[Si](F)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C13H29FO4Si3/c1-12(16)17-11-9-13(8-10-15)18-21(14,19(2,3)4)20(5,6)7/h10,13H,8-9,11H2,1-7H3
InChIKeyPYNWNBRBMFYYGD-UHFFFAOYSA-N
MW352.63 g/mol
LogP3.16
Rot. Bonds9

About [3-[fluoro-bis(trimethylsilyl)silyl]oxy-5-oxopentyl] acetate

[3-[fluoro-bis(trimethylsilyl)silyl]oxy-5-oxopentyl] acetate (PubChem CID 10991798) has the molecular formula C13H29FO4Si3 and a molecular weight of 352.63 g/mol. Its IUPAC name is [3-[fluoro-bis(trimethylsilyl)silyl]oxy-5-oxopentyl] acetate.

Molecular Properties

Compound Name[3-[fluoro-bis(trimethylsilyl)silyl]oxy-5-oxopentyl] acetate
PubChem CID10991798
Molecular FormulaC13H29FO4Si3
Molecular Weight352.63 g/mol
Exact Mass352.14
IUPAC Name[3-[fluoro-bis(trimethylsilyl)silyl]oxy-5-oxopentyl] acetate
SMILESCC(=O)OCCC(CC=O)O[Si](F)([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C13H29FO4Si3/c1-12(16)17-11-9-13(8-10-15)18-21(14,19(2,3)4)20(5,6)7/h10,13H,8-9,11H2,1-7H3
InChIKeyPYNWNBRBMFYYGD-UHFFFAOYSA-N
XLogP3.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.63
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
CID 101860943
Methyl (3R)-3-(((1,1-dimethylethyl)dimethylsilyl)oxy)-5-oxopentanoate
CID 11065195
Pentanedioic acid, 3-methoxy, bis-trimethylsilyl ester
CID 91747825
Ethyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
CID 75231714
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
CID 90222513
Methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
CID 10106693
Tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
CID 10357586
tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
CID 10470203
2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
CID 10542433
[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxopentan-3-yl] acetate
CID 10869507
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
CID 46899486
ethyl (3S)-3-trimethylsilyloxypentanoate
CID 101671319

Frequently Asked Questions

What is the IUPAC name of [3-[fluoro-bis(trimethylsilyl)silyl]oxy-5-oxopentyl] acetate?
The IUPAC name of [3-[fluoro-bis(trimethylsilyl)silyl]oxy-5-oxopentyl] acetate (CID 10991798) is [3-[fluoro-bis(trimethylsilyl)silyl]oxy-5-oxopentyl] acetate.
What is the SMILES notation for [3-[fluoro-bis(trimethylsilyl)silyl]oxy-5-oxopentyl] acetate?
The canonical SMILES for [3-[fluoro-bis(trimethylsilyl)silyl]oxy-5-oxopentyl] acetate is CC(=O)OCCC(CC=O)O[Si](F)([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of [3-[fluoro-bis(trimethylsilyl)silyl]oxy-5-oxopentyl] acetate?
The InChIKey is PYNWNBRBMFYYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29FO4Si3/c1-12(16)17-11-9-13(8-10-15)18-21(14,19(2,3)4)20(5,6)7/h10,13H,8-9,11H2,1-7H3.
What are the key properties of [3-[fluoro-bis(trimethylsilyl)silyl]oxy-5-oxopentyl] acetate?
[3-[fluoro-bis(trimethylsilyl)silyl]oxy-5-oxopentyl] acetate has a molecular weight of 352.63 g/mol, XLogP of 3.16, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[fluoro-bis(trimethylsilyl)silyl]oxy-5-oxopentyl] acetate is sourced from PubChem (CID 10991798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).