dilithium bis(2,2,3,3-tetrachlorodecanoate)

C20H30Cl8Li2O4 — CID 139933236

IUPACdilithium bis(2,2,3,3-tetrachlorodecanoate)
SMILESCCCCCCCC(Cl)(Cl)C(Cl)(Cl)C(=O)[O-].CCCCCCCC(Cl)(Cl)C(Cl)(Cl)C(=O)[O-].[Li+].[Li+]
InChIInChI=1S/2C10H16Cl4O2.2Li/c2*1-2-3-4-5-6-7-9(11,12)10(13,14)8(15)16;;/h2*2-7H2,1H3,(H,15,16);;/q;;2*+1/p-2
InChIKeyLXLWPHXXIPDVKM-UHFFFAOYSA-L
MW631.96 g/mol
LogP0.90
Rot. Bonds16

About dilithium bis(2,2,3,3-tetrachlorodecanoate)

dilithium bis(2,2,3,3-tetrachlorodecanoate) (PubChem CID 139933236) has the molecular formula C20H30Cl8Li2O4 and a molecular weight of 631.96 g/mol. Its IUPAC name is dilithium bis(2,2,3,3-tetrachlorodecanoate).

Molecular Properties

Compound Namedilithium bis(2,2,3,3-tetrachlorodecanoate)
PubChem CID139933236
Molecular FormulaC20H30Cl8Li2O4
Molecular Weight631.96 g/mol
Exact Mass628.00
IUPAC Namedilithium bis(2,2,3,3-tetrachlorodecanoate)
SMILESCCCCCCCC(Cl)(Cl)C(Cl)(Cl)C(=O)[O-].CCCCCCCC(Cl)(Cl)C(Cl)(Cl)C(=O)[O-].[Li+].[Li+]
InChIInChI=1S/2C10H16Cl4O2.2Li/c2*1-2-3-4-5-6-7-9(11,12)10(13,14)8(15)16;;/h2*2-7H2,1H3,(H,15,16);;/q;;2*+1/p-2
InChIKeyLXLWPHXXIPDVKM-UHFFFAOYSA-L
XLogP0.90
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500631.96
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3-tetrachlorodecanoic acid
CID 91357107
lithium;sodium;2-dodecyl-2-nonylpropanedioate
CID 139411097
calcium 2,2-didodecylpropanedioate
CID 153423845
2-hexyl-2-methylpentadecanoate
CID 57350898
tris(2,2-dihexyloctanoate);neodymium(3+)
CID 159599311
dipotassium;2-dodecyl-2-hexylpropanedioate
CID 139411593
dilithium;2-tert-butyl-2-heptylpropanedioate
CID 139411367
chlorotin(3+);tris(2,2-dibutyloctadecanoate)
CID 173446918
lithium;potassium;2-dodecyl-2-propylpropanedioate
CID 139412090
potassium;sodium;2,2-di(undecyl)propanedioate
CID 139411364
bis(2,2-dimethyloctanoate);tin(2+) dihydride
CID 173040991
potassium;sodium;2-dodecyl-2-pentylpropanedioate
CID 139412069

Frequently Asked Questions

What is the IUPAC name of dilithium bis(2,2,3,3-tetrachlorodecanoate)?
The IUPAC name of dilithium bis(2,2,3,3-tetrachlorodecanoate) (CID 139933236) is dilithium bis(2,2,3,3-tetrachlorodecanoate).
What is the SMILES notation for dilithium bis(2,2,3,3-tetrachlorodecanoate)?
The canonical SMILES for dilithium bis(2,2,3,3-tetrachlorodecanoate) is CCCCCCCC(Cl)(Cl)C(Cl)(Cl)C(=O)[O-].CCCCCCCC(Cl)(Cl)C(Cl)(Cl)C(=O)[O-].[Li+].[Li+].
What is the InChIKey of dilithium bis(2,2,3,3-tetrachlorodecanoate)?
The InChIKey is LXLWPHXXIPDVKM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H16Cl4O2.2Li/c2*1-2-3-4-5-6-7-9(11,12)10(13,14)8(15)16;;/h2*2-7H2,1H3,(H,15,16);;/q;;2*+1/p-2.
What are the key properties of dilithium bis(2,2,3,3-tetrachlorodecanoate)?
dilithium bis(2,2,3,3-tetrachlorodecanoate) has a molecular weight of 631.96 g/mol, XLogP of 0.90, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium bis(2,2,3,3-tetrachlorodecanoate) is sourced from PubChem (CID 139933236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).