lithium;potassium;2-dodecyl-2-propylpropanedioate

C18H32KLiO4 — CID 139412090

IUPAClithium;potassium;2-dodecyl-2-propylpropanedioate
SMILESCCCCCCCCCCCCC(CCC)(C(=O)[O-])C(=O)[O-].[K+].[Li+]
InChIInChI=1S/C18H34O4.K.Li/c1-3-5-6-7-8-9-10-11-12-13-15-18(14-4-2,16(19)20)17(21)22;;/h3-15H2,1-2H3,(H,19,20)(H,21,22);;/q;2*+1/p-2
InChIKeyJWLIPFVDIFPWCD-UHFFFAOYSA-L
MW358.49 g/mol
LogP-3.41
Rot. Bonds15

About lithium;potassium;2-dodecyl-2-propylpropanedioate

lithium;potassium;2-dodecyl-2-propylpropanedioate (PubChem CID 139412090) has the molecular formula C18H32KLiO4 and a molecular weight of 358.49 g/mol. Its IUPAC name is lithium;potassium;2-dodecyl-2-propylpropanedioate.

Molecular Properties

Compound Namelithium;potassium;2-dodecyl-2-propylpropanedioate
PubChem CID139412090
Molecular FormulaC18H32KLiO4
Molecular Weight358.49 g/mol
Exact Mass358.21
IUPAC Namelithium;potassium;2-dodecyl-2-propylpropanedioate
SMILESCCCCCCCCCCCCC(CCC)(C(=O)[O-])C(=O)[O-].[K+].[Li+]
InChIInChI=1S/C18H34O4.K.Li/c1-3-5-6-7-8-9-10-11-12-13-15-18(14-4-2,16(19)20)17(21)22;;/h3-15H2,1-2H3,(H,19,20)(H,21,22);;/q;2*+1/p-2
InChIKeyJWLIPFVDIFPWCD-UHFFFAOYSA-L
XLogP-3.41
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 5-3.41
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

magnesium 2-dodecyl-2-propylpropanedioate
CID 153423975
dipotassium;2-dodecyl-2-hexylpropanedioate
CID 139411593
potassium;sodium;2,2-di(undecyl)propanedioate
CID 139411364
potassium;sodium;2-dodecyl-2-pentylpropanedioate
CID 139412069
lithium;sodium;2-dodecyl-2-nonylpropanedioate
CID 139411097
calcium 2,2-didodecylpropanedioate
CID 153423845
dipotassium;2,2-dipentylpropanedioate
CID 139411547
butane;2-butyl-2-propylpropanedioate;2-ethyl-2-hexylpropanedioate
CID 18694759
lithium;sodium;2,2-dipropylpropanedioate
CID 139411996
(2S)-2-azaniumyl-2-methyloctanoate
CID 36689547
lithium;potassium;2-heptyl-2-propan-2-ylpropanedioate
CID 139411544
2-hexyl-2-methylpentadecanoate
CID 57350898

Frequently Asked Questions

What is the IUPAC name of lithium;potassium;2-dodecyl-2-propylpropanedioate?
The IUPAC name of lithium;potassium;2-dodecyl-2-propylpropanedioate (CID 139412090) is lithium;potassium;2-dodecyl-2-propylpropanedioate.
What is the SMILES notation for lithium;potassium;2-dodecyl-2-propylpropanedioate?
The canonical SMILES for lithium;potassium;2-dodecyl-2-propylpropanedioate is CCCCCCCCCCCCC(CCC)(C(=O)[O-])C(=O)[O-].[K+].[Li+].
What is the InChIKey of lithium;potassium;2-dodecyl-2-propylpropanedioate?
The InChIKey is JWLIPFVDIFPWCD-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H34O4.K.Li/c1-3-5-6-7-8-9-10-11-12-13-15-18(14-4-2,16(19)20)17(21)22;;/h3-15H2,1-2H3,(H,19,20)(H,21,22);;/q;2*+1/p-2.
What are the key properties of lithium;potassium;2-dodecyl-2-propylpropanedioate?
lithium;potassium;2-dodecyl-2-propylpropanedioate has a molecular weight of 358.49 g/mol, XLogP of -3.41, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;potassium;2-dodecyl-2-propylpropanedioate is sourced from PubChem (CID 139412090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).