dilithium;2-decylpropanedioate

C13H22Li2O4 — CID 139411609

IUPACdilithium;2-decylpropanedioate
SMILESCCCCCCCCCCC(C(=O)[O-])C(=O)[O-].[Li+].[Li+]
InChIInChI=1S/C13H24O4.2Li/c1-2-3-4-5-6-7-8-9-10-11(12(14)15)13(16)17;;/h11H,2-10H2,1H3,(H,14,15)(H,16,17);;/q;2*+1/p-2
InChIKeyUKGKNQIJNLNXJE-UHFFFAOYSA-L
MW256.20 g/mol
LogP-5.36
Rot. Bonds11

About dilithium;2-decylpropanedioate

dilithium;2-decylpropanedioate (PubChem CID 139411609) has the molecular formula C13H22Li2O4 and a molecular weight of 256.20 g/mol. Its IUPAC name is dilithium;2-decylpropanedioate.

Molecular Properties

Compound Namedilithium;2-decylpropanedioate
PubChem CID139411609
Molecular FormulaC13H22Li2O4
Molecular Weight256.20 g/mol
Exact Mass256.18
IUPAC Namedilithium;2-decylpropanedioate
SMILESCCCCCCCCCCC(C(=O)[O-])C(=O)[O-].[Li+].[Li+]
InChIInChI=1S/C13H24O4.2Li/c1-2-3-4-5-6-7-8-9-10-11(12(14)15)13(16)17;;/h11H,2-10H2,1H3,(H,14,15)(H,16,17);;/q;2*+1/p-2
InChIKeyUKGKNQIJNLNXJE-UHFFFAOYSA-L
XLogP-5.36
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 5-5.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

lithium;potassium;2-octylpropanedioate
CID 139411809
lithium;potassium;2-decylpropanedioate
CID 139411999
dilithium;2-pentylpropanedioate
CID 139411543
disodium;2-undecylpropanedioate
CID 139411931
disilver;2-nonylpropanedioate
CID 22008246
diazanium;2-hexadecylpropanedioate
CID 156776490
potassium;sodium;2-octylpropanedioate
CID 139411906
aluminum tris(2-acetylhexadecanoate)
CID 22342207
aluminum tris(2-acetyltetradecanoate)
CID 22342279
2-hexyl-3-methylidenebutanedioate
CID 23311559
magnesium 2-(2-pentyltetradecyl)propanedioate
CID 175226063
barium(2+);bis(2-methoxycarbonylicosanoate)
CID 88733904

Frequently Asked Questions

What is the IUPAC name of dilithium;2-decylpropanedioate?
The IUPAC name of dilithium;2-decylpropanedioate (CID 139411609) is dilithium;2-decylpropanedioate.
What is the SMILES notation for dilithium;2-decylpropanedioate?
The canonical SMILES for dilithium;2-decylpropanedioate is CCCCCCCCCCC(C(=O)[O-])C(=O)[O-].[Li+].[Li+].
What is the InChIKey of dilithium;2-decylpropanedioate?
The InChIKey is UKGKNQIJNLNXJE-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H24O4.2Li/c1-2-3-4-5-6-7-8-9-10-11(12(14)15)13(16)17;;/h11H,2-10H2,1H3,(H,14,15)(H,16,17);;/q;2*+1/p-2.
What are the key properties of dilithium;2-decylpropanedioate?
dilithium;2-decylpropanedioate has a molecular weight of 256.20 g/mol, XLogP of -5.36, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;2-decylpropanedioate is sourced from PubChem (CID 139411609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).