lithium;2-methylpropane;2-(2-methylpropoxy)acetic acid

C10H21LiO3 — CID 161153037

IUPAClithium;2-methylpropane;2-(2-methylpropoxy)acetic acid
SMILESCC(C)COCC(=O)O.C[C-](C)C.[Li+]
InChIInChI=1S/C6H12O3.C4H9.Li/c1-5(2)3-9-4-6(7)8;1-4(2)3;/h5H,3-4H2,1-2H3,(H,7,8);1-3H3;/q;-1;+1
InChIKeyNFJDGXGEGQHRBU-UHFFFAOYSA-N
MW196.22 g/mol
LogP-0.63
Rot. Bonds4

About lithium;2-methylpropane;2-(2-methylpropoxy)acetic acid

lithium;2-methylpropane;2-(2-methylpropoxy)acetic acid (PubChem CID 161153037) has the molecular formula C10H21LiO3 and a molecular weight of 196.22 g/mol. Its IUPAC name is lithium;2-methylpropane;2-(2-methylpropoxy)acetic acid.

Molecular Properties

Compound Namelithium;2-methylpropane;2-(2-methylpropoxy)acetic acid
PubChem CID161153037
Molecular FormulaC10H21LiO3
Molecular Weight196.22 g/mol
Exact Mass196.17
IUPAC Namelithium;2-methylpropane;2-(2-methylpropoxy)acetic acid
SMILESCC(C)COCC(=O)O.C[C-](C)C.[Li+]
InChIInChI=1S/C6H12O3.C4H9.Li/c1-5(2)3-9-4-6(7)8;1-4(2)3;/h5H,3-4H2,1-2H3,(H,7,8);1-3H3;/q;-1;+1
InChIKeyNFJDGXGEGQHRBU-UHFFFAOYSA-N
XLogP-0.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 5-0.63
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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Related Compounds

Diisobutyl oxalate
CID 249287
2-Propoxyacetic acid
CID 100383
2-(2-Butoxyethoxy)acetic acid
CID 106312
2-(3-Methylbutoxy)acetic acid
CID 109984
2-(2-(2-Butoxyethoxy)ethoxy)acetic acid
CID 85994440
2-(2-Methylpropoxy)acetic acid
CID 2763534
2,5,8,11-Tetraoxatridecan-13-oic acid
CID 9859324
Isobutyl isobutoxyacetate
CID 15108437
3,6,9,12,15-Pentaoxahexadecanoic acid
CID 85242
Diglycolic acid, di(isobutyl) ester
CID 91693286
Isobutyl glycolate
CID 14171289
t-butyl acetate-PEG2-CH2COOH
CID 58208532

Frequently Asked Questions

What is the IUPAC name of lithium;2-methylpropane;2-(2-methylpropoxy)acetic acid?
The IUPAC name of lithium;2-methylpropane;2-(2-methylpropoxy)acetic acid (CID 161153037) is lithium;2-methylpropane;2-(2-methylpropoxy)acetic acid.
What is the SMILES notation for lithium;2-methylpropane;2-(2-methylpropoxy)acetic acid?
The canonical SMILES for lithium;2-methylpropane;2-(2-methylpropoxy)acetic acid is CC(C)COCC(=O)O.C[C-](C)C.[Li+].
What is the InChIKey of lithium;2-methylpropane;2-(2-methylpropoxy)acetic acid?
The InChIKey is NFJDGXGEGQHRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.C4H9.Li/c1-5(2)3-9-4-6(7)8;1-4(2)3;/h5H,3-4H2,1-2H3,(H,7,8);1-3H3;/q;-1;+1.
What are the key properties of lithium;2-methylpropane;2-(2-methylpropoxy)acetic acid?
lithium;2-methylpropane;2-(2-methylpropoxy)acetic acid has a molecular weight of 196.22 g/mol, XLogP of -0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-methylpropane;2-(2-methylpropoxy)acetic acid is sourced from PubChem (CID 161153037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).