methyl (4R,5S)-3-fluoro-3-hexyl-4-methyl-2-trimethylsilyloxy-1,2-oxazolidine-5-carboxylate

C15H30FNO4Si — CID 11845899

IUPACmethyl (4R,5S)-3-fluoro-3-hexyl-4-methyl-2-trimethylsilyloxy-1,2-oxazolidine-5-carboxylate
SMILESCCCCCCC1(F)[C@H](C)[C@@H](C(=O)OC)ON1O[Si](C)(C)C
InChIInChI=1S/C15H30FNO4Si/c1-7-8-9-10-11-15(16)12(2)13(14(18)19-3)20-17(15)21-22(4,5)6/h12-13H,7-11H2,1-6H3/t12-,13+,15?/m1/s1
InChIKeyGJRAIAMJBQFBBQ-NEJHNUGDSA-N
MW335.49 g/mol
LogP3.81
Rot. Bonds8

About methyl (4R,5S)-3-fluoro-3-hexyl-4-methyl-2-trimethylsilyloxy-1,2-oxazolidine-5-carboxylate

methyl (4R,5S)-3-fluoro-3-hexyl-4-methyl-2-trimethylsilyloxy-1,2-oxazolidine-5-carboxylate (PubChem CID 11845899) has the molecular formula C15H30FNO4Si and a molecular weight of 335.49 g/mol. Its IUPAC name is methyl (4R,5S)-3-fluoro-3-hexyl-4-methyl-2-trimethylsilyloxy-1,2-oxazolidine-5-carboxylate.

Molecular Properties

Compound Namemethyl (4R,5S)-3-fluoro-3-hexyl-4-methyl-2-trimethylsilyloxy-1,2-oxazolidine-5-carboxylate
PubChem CID11845899
Molecular FormulaC15H30FNO4Si
Molecular Weight335.49 g/mol
Exact Mass335.19
IUPAC Namemethyl (4R,5S)-3-fluoro-3-hexyl-4-methyl-2-trimethylsilyloxy-1,2-oxazolidine-5-carboxylate
SMILESCCCCCCC1(F)[C@H](C)[C@@H](C(=O)OC)ON1O[Si](C)(C)C
InChIInChI=1S/C15H30FNO4Si/c1-7-8-9-10-11-15(16)12(2)13(14(18)19-3)20-17(15)21-22(4,5)6/h12-13H,7-11H2,1-6H3/t12-,13+,15?/m1/s1
InChIKeyGJRAIAMJBQFBBQ-NEJHNUGDSA-N
XLogP3.81
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R,3R)-3-octyloxirane-2-carboxylate
CID 134894079
dimethyl (4R,5R)-2-nonyl-1,3-dioxolane-4,5-dicarboxylate
CID 14992896
methyl 3-methyl-3-pentyloxirane-2-carboxylate
CID 80558710
dimethyl (4R,5R)-2-dodecyl-2-(4-methylphenyl)-1,3-dioxolane-4,5-dicarboxylate
CID 71483597
methyl (2S,4S,5S)-2-(2-methoxy-2-oxoethyl)-2,5-di(pentadecyl)-1,3-dioxolane-4-carboxylate
CID 102002441
dimethyl (2S,3R,5R)-3-nonyloxolane-2,5-dicarboxylate
CID 10245121
methyl (2S,3R)-3-(heptylcarbamoyl)oxirane-2-carboxylate
CID 11817381
methyl (4R)-3-hexadecanoyl-2,2-dimethyl-1,3-oxazolidine-4-carboxylate
CID 46205456
methyl (2S,3R)-3-pentylsulfanylcarbonyloxirane-2-carboxylate
CID 11195633
methyl (4S,5S)-5-tert-butyl-3-nonyl-4,5-dihydro-1,2-oxazole-4-carboxylate
CID 102186333
trans-methyl (1R,2S)-2-hexylcyclopropane-1-carboxylate
CID 12509721
methyl 5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-2-methyl-2-octyl-1,3-dioxolane-4-carboxylate
CID 173199777

Frequently Asked Questions

What is the IUPAC name of methyl (4R,5S)-3-fluoro-3-hexyl-4-methyl-2-trimethylsilyloxy-1,2-oxazolidine-5-carboxylate?
The IUPAC name of methyl (4R,5S)-3-fluoro-3-hexyl-4-methyl-2-trimethylsilyloxy-1,2-oxazolidine-5-carboxylate (CID 11845899) is methyl (4R,5S)-3-fluoro-3-hexyl-4-methyl-2-trimethylsilyloxy-1,2-oxazolidine-5-carboxylate.
What is the SMILES notation for methyl (4R,5S)-3-fluoro-3-hexyl-4-methyl-2-trimethylsilyloxy-1,2-oxazolidine-5-carboxylate?
The canonical SMILES for methyl (4R,5S)-3-fluoro-3-hexyl-4-methyl-2-trimethylsilyloxy-1,2-oxazolidine-5-carboxylate is CCCCCCC1(F)[C@H](C)[C@@H](C(=O)OC)ON1O[Si](C)(C)C.
What is the InChIKey of methyl (4R,5S)-3-fluoro-3-hexyl-4-methyl-2-trimethylsilyloxy-1,2-oxazolidine-5-carboxylate?
The InChIKey is GJRAIAMJBQFBBQ-NEJHNUGDSA-N. The full InChI is InChI=1S/C15H30FNO4Si/c1-7-8-9-10-11-15(16)12(2)13(14(18)19-3)20-17(15)21-22(4,5)6/h12-13H,7-11H2,1-6H3/t12-,13+,15?/m1/s1.
What are the key properties of methyl (4R,5S)-3-fluoro-3-hexyl-4-methyl-2-trimethylsilyloxy-1,2-oxazolidine-5-carboxylate?
methyl (4R,5S)-3-fluoro-3-hexyl-4-methyl-2-trimethylsilyloxy-1,2-oxazolidine-5-carboxylate has a molecular weight of 335.49 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,5S)-3-fluoro-3-hexyl-4-methyl-2-trimethylsilyloxy-1,2-oxazolidine-5-carboxylate is sourced from PubChem (CID 11845899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).