lithium (E,3R)-3-[benzyl(trimethylsilyl)amino]-1-[(2-methylpropan-2-yl)oxy]but-1-en-1-olate

C18H30LiNO2Si — CID 102252105

IUPAClithium (E,3R)-3-[benzyl(trimethylsilyl)amino]-1-[(2-methylpropan-2-yl)oxy]but-1-en-1-olate
SMILESC[C@H](/C=C(\[O-])OC(C)(C)C)N(Cc1ccccc1)[Si](C)(C)C.[Li+]
InChIInChI=1S/C18H31NO2Si.Li/c1-15(13-17(20)21-18(2,3)4)19(22(5,6)7)14-16-11-9-8-10-12-16;/h8-13,15,20H,14H2,1-7H3;/q;+1/p-1/b17-13+;/t15-;/m1./s1
InChIKeyXVBOBXVFKBSVIN-AJDAIBFTSA-M
MW327.47 g/mol
LogP0.73
Rot. Bonds6

About lithium (E,3R)-3-[benzyl(trimethylsilyl)amino]-1-[(2-methylpropan-2-yl)oxy]but-1-en-1-olate

lithium (E,3R)-3-[benzyl(trimethylsilyl)amino]-1-[(2-methylpropan-2-yl)oxy]but-1-en-1-olate (PubChem CID 102252105) has the molecular formula C18H30LiNO2Si and a molecular weight of 327.47 g/mol. Its IUPAC name is lithium (E,3R)-3-[benzyl(trimethylsilyl)amino]-1-[(2-methylpropan-2-yl)oxy]but-1-en-1-olate.

Molecular Properties

Compound Namelithium (E,3R)-3-[benzyl(trimethylsilyl)amino]-1-[(2-methylpropan-2-yl)oxy]but-1-en-1-olate
PubChem CID102252105
Molecular FormulaC18H30LiNO2Si
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Namelithium (E,3R)-3-[benzyl(trimethylsilyl)amino]-1-[(2-methylpropan-2-yl)oxy]but-1-en-1-olate
SMILESC[C@H](/C=C(\[O-])OC(C)(C)C)N(Cc1ccccc1)[Si](C)(C)C.[Li+]
InChIInChI=1S/C18H31NO2Si.Li/c1-15(13-17(20)21-18(2,3)4)19(22(5,6)7)14-16-11-9-8-10-12-16;/h8-13,15,20H,14H2,1-7H3;/q;+1/p-1/b17-13+;/t15-;/m1./s1
InChIKeyXVBOBXVFKBSVIN-AJDAIBFTSA-M
XLogP0.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze lithium (E,3R)-3-[benzyl(trimethylsilyl)amino]-1-[(2-methylpropan-2-yl)oxy]but-1-en-1-olate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium (E,3R)-3-[benzyl(trimethylsilyl)amino]-1-[(2-methylpropan-2-yl)oxy]but-1-en-1-olate?
The IUPAC name of lithium (E,3R)-3-[benzyl(trimethylsilyl)amino]-1-[(2-methylpropan-2-yl)oxy]but-1-en-1-olate (CID 102252105) is lithium (E,3R)-3-[benzyl(trimethylsilyl)amino]-1-[(2-methylpropan-2-yl)oxy]but-1-en-1-olate.
What is the SMILES notation for lithium (E,3R)-3-[benzyl(trimethylsilyl)amino]-1-[(2-methylpropan-2-yl)oxy]but-1-en-1-olate?
The canonical SMILES for lithium (E,3R)-3-[benzyl(trimethylsilyl)amino]-1-[(2-methylpropan-2-yl)oxy]but-1-en-1-olate is C[C@H](/C=C(\[O-])OC(C)(C)C)N(Cc1ccccc1)[Si](C)(C)C.[Li+].
What is the InChIKey of lithium (E,3R)-3-[benzyl(trimethylsilyl)amino]-1-[(2-methylpropan-2-yl)oxy]but-1-en-1-olate?
The InChIKey is XVBOBXVFKBSVIN-AJDAIBFTSA-M. The full InChI is InChI=1S/C18H31NO2Si.Li/c1-15(13-17(20)21-18(2,3)4)19(22(5,6)7)14-16-11-9-8-10-12-16;/h8-13,15,20H,14H2,1-7H3;/q;+1/p-1/b17-13+;/t15-;/m1./s1.
What are the key properties of lithium (E,3R)-3-[benzyl(trimethylsilyl)amino]-1-[(2-methylpropan-2-yl)oxy]but-1-en-1-olate?
lithium (E,3R)-3-[benzyl(trimethylsilyl)amino]-1-[(2-methylpropan-2-yl)oxy]but-1-en-1-olate has a molecular weight of 327.47 g/mol, XLogP of 0.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (E,3R)-3-[benzyl(trimethylsilyl)amino]-1-[(2-methylpropan-2-yl)oxy]but-1-en-1-olate is sourced from PubChem (CID 102252105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).