[tert-butyl(dimethyl)silyl] 5-fluoropentanoate

C11H23FO2Si — CID 87739176

IUPAC[tert-butyl(dimethyl)silyl] 5-fluoropentanoate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CCCCF
InChIInChI=1S/C11H23FO2Si/c1-11(2,3)15(4,5)14-10(13)8-6-7-9-12/h6-9H2,1-5H3
InChIKeyCDALJFVOHUXXCX-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.67
Rot. Bonds5

About [tert-butyl(dimethyl)silyl] 5-fluoropentanoate

[tert-butyl(dimethyl)silyl] 5-fluoropentanoate (PubChem CID 87739176) has the molecular formula C11H23FO2Si and a molecular weight of 234.39 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 5-fluoropentanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 5-fluoropentanoate
PubChem CID87739176
Molecular FormulaC11H23FO2Si
Molecular Weight234.39 g/mol
Exact Mass234.15
IUPAC Name[tert-butyl(dimethyl)silyl] 5-fluoropentanoate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CCCCF
InChIInChI=1S/C11H23FO2Si/c1-11(2,3)15(4,5)14-10(13)8-6-7-9-12/h6-9H2,1-5H3
InChIKeyCDALJFVOHUXXCX-UHFFFAOYSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis[tert-butyl(dimethyl)silyl] hexanedioate
CID 528567
[tert-butyl(dimethyl)silyl] tetradecanoate
CID 528599
[tert-butyl(dimethyl)silyl] heptacosanoate
CID 91752633
[tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 22907893
[tert-butyl(dimethyl)silyl] (E)-octadec-11-enoate
CID 91743170
4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate
CID 87697847
[tert-butyl(dimethyl)silyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
CID 91697184
[tert-butyl(dimethyl)silyl] 4,4-dimethyl-5-oxoheptanoate
CID 23067022
tert-butyl 8-fluorooctanoate
CID 155896225
[tert-butyl(dimethyl)silyl] 2-chloroacetate
CID 4279826
[tert-butyl(dimethyl)silyl] 3-acetylsulfanylpropanoate
CID 91713351
[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]sulfanylpropanoate
CID 91719359

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 5-fluoropentanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 5-fluoropentanoate (CID 87739176) is [tert-butyl(dimethyl)silyl] 5-fluoropentanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 5-fluoropentanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 5-fluoropentanoate is CC(C)(C)[Si](C)(C)OC(=O)CCCCF.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 5-fluoropentanoate?
The InChIKey is CDALJFVOHUXXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FO2Si/c1-11(2,3)15(4,5)14-10(13)8-6-7-9-12/h6-9H2,1-5H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 5-fluoropentanoate?
[tert-butyl(dimethyl)silyl] 5-fluoropentanoate has a molecular weight of 234.39 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 5-fluoropentanoate is sourced from PubChem (CID 87739176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).