methyl 5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoate

C18H29FO3Si — CID 68872304

IUPACmethyl 5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoate
SMILESCOC(=O)CCCC(O[Si](C)(C)C(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C18H29FO3Si/c1-18(2,3)23(5,6)22-16(8-7-9-17(20)21-4)14-10-12-15(19)13-11-14/h10-13,16H,7-9H2,1-6H3
InChIKeyHEAZNQSHNDDFPA-UHFFFAOYSA-N
MW340.51 g/mol
LogP5.23
Rot. Bonds7

About methyl 5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoate

methyl 5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoate (PubChem CID 68872304) has the molecular formula C18H29FO3Si and a molecular weight of 340.51 g/mol. Its IUPAC name is methyl 5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoate.

Molecular Properties

Compound Namemethyl 5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoate
PubChem CID68872304
Molecular FormulaC18H29FO3Si
Molecular Weight340.51 g/mol
Exact Mass340.19
IUPAC Namemethyl 5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoate
SMILESCOC(=O)CCCC(O[Si](C)(C)C(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C18H29FO3Si/c1-18(2,3)23(5,6)22-16(8-7-9-17(20)21-4)14-10-12-15(19)13-11-14/h10-13,16H,7-9H2,1-6H3
InChIKeyHEAZNQSHNDDFPA-UHFFFAOYSA-N
XLogP5.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetate
CID 11087186
Methyl 2,2-dimethyl-3-phenyl-3-trimethylsilyloxypropanoate
CID 11747964
Methyl 3-(2-fluorophenyl)-2-triethylsilyloxypropanoate
CID 134948797
ethyl 2-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-6,7-difluoro-1,2-dihydronaphthalen-2-yl]acetate
CID 134950297
5-[Tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentan-2-one
CID 134962224
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(4-fluorophenyl)propanoate
CID 162399010
Ethyl 5-tert-butylperoxy-5-(4-fluorophenyl)pentanoate
CID 178251880
(2S,3S,5R)-5-(benzyloxy)-3-((tert-butyldimethylsilyl)oxy)-2-hexylhexadecanoic acid
CID 10348166
Ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetate
CID 13708951
propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dimethylphenyl)propanoate
CID 58567240
propan-2-yl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate
CID 58567262
trans-methyl (1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-phenylcyclobutane-1-carboxylate
CID 59672163

Frequently Asked Questions

What is the IUPAC name of methyl 5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoate?
The IUPAC name of methyl 5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoate (CID 68872304) is methyl 5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoate.
What is the SMILES notation for methyl 5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoate?
The canonical SMILES for methyl 5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoate is COC(=O)CCCC(O[Si](C)(C)C(C)(C)C)c1ccc(F)cc1.
What is the InChIKey of methyl 5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoate?
The InChIKey is HEAZNQSHNDDFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FO3Si/c1-18(2,3)23(5,6)22-16(8-7-9-17(20)21-4)14-10-12-15(19)13-11-14/h10-13,16H,7-9H2,1-6H3.
What are the key properties of methyl 5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoate?
methyl 5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoate has a molecular weight of 340.51 g/mol, XLogP of 5.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoate is sourced from PubChem (CID 68872304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).