lithium 3-[(2-methylpropan-2-yl)oxy]propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

C15H28LiNO4 — CID 177383717

IUPAClithium 3-[(2-methylpropan-2-yl)oxy]propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OCC[CH-]OC(=O)N1C(C)(C)COC1(C)C.[Li+]
InChIInChI=1S/C15H28NO4.Li/c1-13(2,3)19-10-8-9-18-12(17)16-14(4,5)11-20-15(16,6)7;/h9H,8,10-11H2,1-7H3;/q-1;+1
InChIKeyWXOGZTFHZFBUJT-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.34
Rot. Bonds4

About lithium 3-[(2-methylpropan-2-yl)oxy]propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

lithium 3-[(2-methylpropan-2-yl)oxy]propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 177383717) has the molecular formula C15H28LiNO4 and a molecular weight of 293.33 g/mol. Its IUPAC name is lithium 3-[(2-methylpropan-2-yl)oxy]propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namelithium 3-[(2-methylpropan-2-yl)oxy]propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
PubChem CID177383717
Molecular FormulaC15H28LiNO4
Molecular Weight293.33 g/mol
Exact Mass293.22
IUPAC Namelithium 3-[(2-methylpropan-2-yl)oxy]propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OCC[CH-]OC(=O)N1C(C)(C)COC1(C)C.[Li+]
InChIInChI=1S/C15H28NO4.Li/c1-13(2,3)19-10-8-9-18-12(17)16-14(4,5)11-20-15(16,6)7;/h9H,8,10-11H2,1-7H3;/q-1;+1
InChIKeyWXOGZTFHZFBUJT-UHFFFAOYSA-N
XLogP0.34
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 3-[(2-methylpropan-2-yl)oxy]propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of lithium 3-[(2-methylpropan-2-yl)oxy]propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (CID 177383717) is lithium 3-[(2-methylpropan-2-yl)oxy]propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for lithium 3-[(2-methylpropan-2-yl)oxy]propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for lithium 3-[(2-methylpropan-2-yl)oxy]propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OCC[CH-]OC(=O)N1C(C)(C)COC1(C)C.[Li+].
What is the InChIKey of lithium 3-[(2-methylpropan-2-yl)oxy]propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is WXOGZTFHZFBUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28NO4.Li/c1-13(2,3)19-10-8-9-18-12(17)16-14(4,5)11-20-15(16,6)7;/h9H,8,10-11H2,1-7H3;/q-1;+1.
What are the key properties of lithium 3-[(2-methylpropan-2-yl)oxy]propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
lithium 3-[(2-methylpropan-2-yl)oxy]propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 293.33 g/mol, XLogP of 0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-[(2-methylpropan-2-yl)oxy]propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 177383717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).