lithium 2-(2-tert-butylphenoxy)acetate

C12H15LiO3 — CID 19205698

IUPAClithium 2-(2-tert-butylphenoxy)acetate
SMILESCC(C)(C)c1ccccc1OCC(=O)[O-].[Li+]
InChIInChI=1S/C12H16O3.Li/c1-12(2,3)9-6-4-5-7-10(9)15-8-11(13)14;/h4-7H,8H2,1-3H3,(H,13,14);/q;+1/p-1
InChIKeyICNNLDNXRGPTEG-UHFFFAOYSA-M
MW214.19 g/mol
LogP-1.88
Rot. Bonds3

About lithium 2-(2-tert-butylphenoxy)acetate

lithium 2-(2-tert-butylphenoxy)acetate (PubChem CID 19205698) has the molecular formula C12H15LiO3 and a molecular weight of 214.19 g/mol. Its IUPAC name is lithium 2-(2-tert-butylphenoxy)acetate.

Molecular Properties

Compound Namelithium 2-(2-tert-butylphenoxy)acetate
PubChem CID19205698
Molecular FormulaC12H15LiO3
Molecular Weight214.19 g/mol
Exact Mass214.12
IUPAC Namelithium 2-(2-tert-butylphenoxy)acetate
SMILESCC(C)(C)c1ccccc1OCC(=O)[O-].[Li+]
InChIInChI=1S/C12H16O3.Li/c1-12(2,3)9-6-4-5-7-10(9)15-8-11(13)14;/h4-7H,8H2,1-3H3,(H,13,14);/q;+1/p-1
InChIKeyICNNLDNXRGPTEG-UHFFFAOYSA-M
XLogP-1.88
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 5-1.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-tert-butylphenoxy)acetyl]amino]acetate
CID 9170941
2-(2-tert-butylphenoxy)acetamide
CID 17051379
acetyl 2-(2-tert-butylphenoxy)acetate
CID 87336572
lithium 2-(2-methylphenoxy)acetate
CID 19205696
3-[[2-(2-tert-butylphenoxy)acetyl]amino]benzoate
CID 5123909
sodium 2-(2-methylphenoxy)acetate
CID 23664336
2-ethoxyethyl 2-(2-tert-butylphenoxy)acetate
CID 78832274
N-(1-amino-2-methylpropan-2-yl)-2-(2-tert-butylphenoxy)acetamide
CID 119523420
2-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 60681856
5-(2-tert-butylphenoxy)pentan-2-one
CID 43793545
2-(3,5-ditert-butyl-2-hydroxyphenoxy)acetate
CID 7343070
N-butyl-2-(2-tert-butylphenoxy)acetamide
CID 7676560

Frequently Asked Questions

What is the IUPAC name of lithium 2-(2-tert-butylphenoxy)acetate?
The IUPAC name of lithium 2-(2-tert-butylphenoxy)acetate (CID 19205698) is lithium 2-(2-tert-butylphenoxy)acetate.
What is the SMILES notation for lithium 2-(2-tert-butylphenoxy)acetate?
The canonical SMILES for lithium 2-(2-tert-butylphenoxy)acetate is CC(C)(C)c1ccccc1OCC(=O)[O-].[Li+].
What is the InChIKey of lithium 2-(2-tert-butylphenoxy)acetate?
The InChIKey is ICNNLDNXRGPTEG-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H16O3.Li/c1-12(2,3)9-6-4-5-7-10(9)15-8-11(13)14;/h4-7H,8H2,1-3H3,(H,13,14);/q;+1/p-1.
What are the key properties of lithium 2-(2-tert-butylphenoxy)acetate?
lithium 2-(2-tert-butylphenoxy)acetate has a molecular weight of 214.19 g/mol, XLogP of -1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-(2-tert-butylphenoxy)acetate is sourced from PubChem (CID 19205698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).