dilithium bis(2-propylpentanoate)

C16H30Li2O4 — CID 140557398

IUPACdilithium bis(2-propylpentanoate)
SMILESCCCC(CCC)C(=O)[O-].CCCC(CCC)C(=O)[O-].[Li+].[Li+]
InChIInChI=1S/2C8H16O2.2Li/c2*1-3-5-7(6-4-2)8(9)10;;/h2*7H,3-6H2,1-2H3,(H,9,10);;/q;;2*+1/p-2
InChIKeyJZVXUSVGZCQFKQ-UHFFFAOYSA-L
MW300.29 g/mol
LogP-4.09
Rot. Bonds10

About dilithium bis(2-propylpentanoate)

dilithium bis(2-propylpentanoate) (PubChem CID 140557398) has the molecular formula C16H30Li2O4 and a molecular weight of 300.29 g/mol. Its IUPAC name is dilithium bis(2-propylpentanoate).

Molecular Properties

Compound Namedilithium bis(2-propylpentanoate)
PubChem CID140557398
Molecular FormulaC16H30Li2O4
Molecular Weight300.29 g/mol
Exact Mass300.25
IUPAC Namedilithium bis(2-propylpentanoate)
SMILESCCCC(CCC)C(=O)[O-].CCCC(CCC)C(=O)[O-].[Li+].[Li+]
InChIInChI=1S/2C8H16O2.2Li/c2*1-3-5-7(6-4-2)8(9)10;;/h2*7H,3-6H2,1-2H3,(H,9,10);;/q;;2*+1/p-2
InChIKeyJZVXUSVGZCQFKQ-UHFFFAOYSA-L
XLogP-4.09
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 5-4.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dilithium bis(2-propylpentanoate)?
The IUPAC name of dilithium bis(2-propylpentanoate) (CID 140557398) is dilithium bis(2-propylpentanoate).
What is the SMILES notation for dilithium bis(2-propylpentanoate)?
The canonical SMILES for dilithium bis(2-propylpentanoate) is CCCC(CCC)C(=O)[O-].CCCC(CCC)C(=O)[O-].[Li+].[Li+].
What is the InChIKey of dilithium bis(2-propylpentanoate)?
The InChIKey is JZVXUSVGZCQFKQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H16O2.2Li/c2*1-3-5-7(6-4-2)8(9)10;;/h2*7H,3-6H2,1-2H3,(H,9,10);;/q;;2*+1/p-2.
What are the key properties of dilithium bis(2-propylpentanoate)?
dilithium bis(2-propylpentanoate) has a molecular weight of 300.29 g/mol, XLogP of -4.09, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium bis(2-propylpentanoate) is sourced from PubChem (CID 140557398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).