lithium 2-ethyloctanoate

C10H19LiO2 — CID 155386691

IUPAClithium 2-ethyloctanoate
SMILESCCCCCCC(CC)C(=O)[O-].[Li+]
InChIInChI=1S/C10H20O2.Li/c1-3-5-6-7-8-9(4-2)10(11)12;/h9H,3-8H2,1-2H3,(H,11,12);/q;+1/p-1
InChIKeyBBNLOWIWTRCAJZ-UHFFFAOYSA-M
MW178.20 g/mol
LogP-1.26
Rot. Bonds7

About lithium 2-ethyloctanoate

lithium 2-ethyloctanoate (PubChem CID 155386691) has the molecular formula C10H19LiO2 and a molecular weight of 178.20 g/mol. Its IUPAC name is lithium 2-ethyloctanoate.

Molecular Properties

Compound Namelithium 2-ethyloctanoate
PubChem CID155386691
Molecular FormulaC10H19LiO2
Molecular Weight178.20 g/mol
Exact Mass178.15
IUPAC Namelithium 2-ethyloctanoate
SMILESCCCCCCC(CC)C(=O)[O-].[Li+]
InChIInChI=1S/C10H20O2.Li/c1-3-5-6-7-8-9(4-2)10(11)12;/h9H,3-8H2,1-2H3,(H,11,12);/q;+1/p-1
InChIKeyBBNLOWIWTRCAJZ-UHFFFAOYSA-M
XLogP-1.26
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 5-1.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

potassium 2-ethyldodecanoate
CID 90238812
CID 21474875
CID 21474875
bis(2-ethylhexanoate);zirconium(2+)
CID 13388286
2-butylnonanoate
CID 20977072
(2S)-2-butyloctanoate
CID 86308644
tetrakis(2-ethylhexanoate);tin(4+)
CID 22506300
gallium 2-ethylhexanoate
CID 21118224
tetrakis(2-ethylhexanoate);thorium(4+)
CID 175390088
bis(copper(1+));bis(2-ethylhexanoate)
CID 21116994
bis(2-ethylhexanoate);molybdenum(2+)
CID 19602338
tetrakis(2-ethylhexanoate);bis(zirconium(4+))
CID 175920407
2-ethylhexanoate;tin(2+)
CID 23616604

Frequently Asked Questions

What is the IUPAC name of lithium 2-ethyloctanoate?
The IUPAC name of lithium 2-ethyloctanoate (CID 155386691) is lithium 2-ethyloctanoate.
What is the SMILES notation for lithium 2-ethyloctanoate?
The canonical SMILES for lithium 2-ethyloctanoate is CCCCCCC(CC)C(=O)[O-].[Li+].
What is the InChIKey of lithium 2-ethyloctanoate?
The InChIKey is BBNLOWIWTRCAJZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H20O2.Li/c1-3-5-6-7-8-9(4-2)10(11)12;/h9H,3-8H2,1-2H3,(H,11,12);/q;+1/p-1.
What are the key properties of lithium 2-ethyloctanoate?
lithium 2-ethyloctanoate has a molecular weight of 178.20 g/mol, XLogP of -1.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-ethyloctanoate is sourced from PubChem (CID 155386691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).