lithium;benzene;2-cyclohexyloxyacetic acid

C14H19LiO3 — CID 159256887

IUPAClithium;benzene;2-cyclohexyloxyacetic acid
SMILESO=C(O)COC1CCCCC1.[Li+].[c-]1ccccc1
InChIInChI=1S/C8H14O3.C6H5.Li/c9-8(10)6-11-7-4-2-1-3-5-7;1-2-4-6-5-3-1;/h7H,1-6H2,(H,9,10);1-5H;/q;-1;+1
InChIKeyYDRCSLCEPBHDCG-UHFFFAOYSA-N
MW242.24 g/mol
LogP-0.09
Rot. Bonds3

About lithium;benzene;2-cyclohexyloxyacetic acid

lithium;benzene;2-cyclohexyloxyacetic acid (PubChem CID 159256887) has the molecular formula C14H19LiO3 and a molecular weight of 242.24 g/mol. Its IUPAC name is lithium;benzene;2-cyclohexyloxyacetic acid.

Molecular Properties

Compound Namelithium;benzene;2-cyclohexyloxyacetic acid
PubChem CID159256887
Molecular FormulaC14H19LiO3
Molecular Weight242.24 g/mol
Exact Mass242.15
IUPAC Namelithium;benzene;2-cyclohexyloxyacetic acid
SMILESO=C(O)COC1CCCCC1.[Li+].[c-]1ccccc1
InChIInChI=1S/C8H14O3.C6H5.Li/c9-8(10)6-11-7-4-2-1-3-5-7;1-2-4-6-5-3-1;/h7H,1-6H2,(H,9,10);1-5H;/q;-1;+1
InChIKeyYDRCSLCEPBHDCG-UHFFFAOYSA-N
XLogP-0.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;benzene;2-cyclohexyloxyacetic acid?
The IUPAC name of lithium;benzene;2-cyclohexyloxyacetic acid (CID 159256887) is lithium;benzene;2-cyclohexyloxyacetic acid.
What is the SMILES notation for lithium;benzene;2-cyclohexyloxyacetic acid?
The canonical SMILES for lithium;benzene;2-cyclohexyloxyacetic acid is O=C(O)COC1CCCCC1.[Li+].[c-]1ccccc1.
What is the InChIKey of lithium;benzene;2-cyclohexyloxyacetic acid?
The InChIKey is YDRCSLCEPBHDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3.C6H5.Li/c9-8(10)6-11-7-4-2-1-3-5-7;1-2-4-6-5-3-1;/h7H,1-6H2,(H,9,10);1-5H;/q;-1;+1.
What are the key properties of lithium;benzene;2-cyclohexyloxyacetic acid?
lithium;benzene;2-cyclohexyloxyacetic acid has a molecular weight of 242.24 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;benzene;2-cyclohexyloxyacetic acid is sourced from PubChem (CID 159256887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).