butyl 4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate

C13H24F3NO4Si — CID 139827854

IUPACbutyl 4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate
SMILESCCCCOC(=O)N1COC(O[Si](C)(C)C)(C(F)(F)F)C1C
InChIInChI=1S/C13H24F3NO4Si/c1-6-7-8-19-11(18)17-9-20-12(10(17)2,13(14,15)16)21-22(3,4)5/h10H,6-9H2,1-5H3
InChIKeyOSARCDVPIRHMDE-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.71
Rot. Bonds5

About butyl 4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate

butyl 4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate (PubChem CID 139827854) has the molecular formula C13H24F3NO4Si and a molecular weight of 343.42 g/mol. Its IUPAC name is butyl 4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebutyl 4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate
PubChem CID139827854
Molecular FormulaC13H24F3NO4Si
Molecular Weight343.42 g/mol
Exact Mass343.14
IUPAC Namebutyl 4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate
SMILESCCCCOC(=O)N1COC(O[Si](C)(C)C)(C(F)(F)F)C1C
InChIInChI=1S/C13H24F3NO4Si/c1-6-7-8-19-11(18)17-9-20-12(10(17)2,13(14,15)16)21-22(3,4)5/h10H,6-9H2,1-5H3
InChIKeyOSARCDVPIRHMDE-UHFFFAOYSA-N
XLogP3.71
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

butyl 2-azabicyclo[2.1.1]hexane-2-carboxylate
CID 175737016
butyl 6-acetyl-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 175978634
butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate
CID 94984333
butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate
CID 94984334
(2S)-1-butoxycarbonylpyrrolidine-2-carboxylic acid
CID 10976836
butyl 2-formylpyrrolidine-1-carboxylate
CID 54059986
butyl (1R,4S)-3,3-bis(trifluoromethyl)-2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 2054835
butyl (4R)-3-iodo-4-methyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 175952907
butyl (2R)-2-methylpiperazine-1-carboxylate
CID 70918230
(2R)-1-butoxycarbonylpiperidine-2-carboxylic acid
CID 70196600
(2R)-1-butoxycarbonylazetidine-2-carboxylic acid
CID 69461964
butyl aziridine-1-carboxylate
CID 12641

Frequently Asked Questions

What is the IUPAC name of butyl 4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate?
The IUPAC name of butyl 4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate (CID 139827854) is butyl 4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for butyl 4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for butyl 4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate is CCCCOC(=O)N1COC(O[Si](C)(C)C)(C(F)(F)F)C1C.
What is the InChIKey of butyl 4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate?
The InChIKey is OSARCDVPIRHMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO4Si/c1-6-7-8-19-11(18)17-9-20-12(10(17)2,13(14,15)16)21-22(3,4)5/h10H,6-9H2,1-5H3.
What are the key properties of butyl 4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate?
butyl 4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate has a molecular weight of 343.42 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-methyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 139827854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).