lithium;octanoic acid;propane

C11H23LiO2 — CID 157175729

IUPAClithium;octanoic acid;propane
SMILESCCCCCCCC(=O)O.[CH2-]CC.[Li+]
InChIInChI=1S/C8H16O2.C3H7.Li/c1-2-3-4-5-6-7-8(9)10;1-3-2;/h2-7H2,1H3,(H,9,10);1,3H2,2H3;/q;-1;+1
InChIKeyYYRLETGXQPZHSJ-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.67
Rot. Bonds6

About lithium;octanoic acid;propane

lithium;octanoic acid;propane (PubChem CID 157175729) has the molecular formula C11H23LiO2 and a molecular weight of 194.24 g/mol. Its IUPAC name is lithium;octanoic acid;propane.

Molecular Properties

Compound Namelithium;octanoic acid;propane
PubChem CID157175729
Molecular FormulaC11H23LiO2
Molecular Weight194.24 g/mol
Exact Mass194.19
IUPAC Namelithium;octanoic acid;propane
SMILESCCCCCCCC(=O)O.[CH2-]CC.[Li+]
InChIInChI=1S/C8H16O2.C3H7.Li/c1-2-3-4-5-6-7-8(9)10;1-3-2;/h2-7H2,1H3,(H,9,10);1,3H2,2H3;/q;-1;+1
InChIKeyYYRLETGXQPZHSJ-UHFFFAOYSA-N
XLogP0.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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hexadecanoic acid;nickel
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CID 88782516
octadecanoic acid
CID 157075632
decanoic acid;heptanoic acid;nonanoic acid;octanoic acid
CID 163854999
hexadecane;hexadecanedioic acid
CID 159838474
decanoic acid;hexanedioic acid;nonanedioic acid
CID 161134683
bis(hexane);tetradecanoic acid
CID 173301731
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912

Frequently Asked Questions

What is the IUPAC name of lithium;octanoic acid;propane?
The IUPAC name of lithium;octanoic acid;propane (CID 157175729) is lithium;octanoic acid;propane.
What is the SMILES notation for lithium;octanoic acid;propane?
The canonical SMILES for lithium;octanoic acid;propane is CCCCCCCC(=O)O.[CH2-]CC.[Li+].
What is the InChIKey of lithium;octanoic acid;propane?
The InChIKey is YYRLETGXQPZHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C3H7.Li/c1-2-3-4-5-6-7-8(9)10;1-3-2;/h2-7H2,1H3,(H,9,10);1,3H2,2H3;/q;-1;+1.
What are the key properties of lithium;octanoic acid;propane?
lithium;octanoic acid;propane has a molecular weight of 194.24 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;octanoic acid;propane is sourced from PubChem (CID 157175729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).