dilithium;2-tert-butyl-2-heptylpropanedioate

C14H24Li2O4 — CID 139411367

IUPACdilithium;2-tert-butyl-2-heptylpropanedioate
SMILESCCCCCCCC(C(=O)[O-])(C(=O)[O-])C(C)(C)C.[Li+].[Li+]
InChIInChI=1S/C14H26O4.2Li/c1-5-6-7-8-9-10-14(11(15)16,12(17)18)13(2,3)4;;/h5-10H2,1-4H3,(H,15,16)(H,17,18);;/q;2*+1/p-2
InChIKeyRNRJOXWHUKRMEW-UHFFFAOYSA-L
MW270.22 g/mol
LogP-5.11
Rot. Bonds8

About dilithium;2-tert-butyl-2-heptylpropanedioate

dilithium;2-tert-butyl-2-heptylpropanedioate (PubChem CID 139411367) has the molecular formula C14H24Li2O4 and a molecular weight of 270.22 g/mol. Its IUPAC name is dilithium;2-tert-butyl-2-heptylpropanedioate.

Molecular Properties

Compound Namedilithium;2-tert-butyl-2-heptylpropanedioate
PubChem CID139411367
Molecular FormulaC14H24Li2O4
Molecular Weight270.22 g/mol
Exact Mass270.20
IUPAC Namedilithium;2-tert-butyl-2-heptylpropanedioate
SMILESCCCCCCCC(C(=O)[O-])(C(=O)[O-])C(C)(C)C.[Li+].[Li+]
InChIInChI=1S/C14H26O4.2Li/c1-5-6-7-8-9-10-14(11(15)16,12(17)18)13(2,3)4;;/h5-10H2,1-4H3,(H,15,16)(H,17,18);;/q;2*+1/p-2
InChIKeyRNRJOXWHUKRMEW-UHFFFAOYSA-L
XLogP-5.11
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.22
LogP ≤ 5-5.11
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;sodium;2-tert-butyl-2-pentylpropanedioate
CID 139411371
magnesium 2-tert-butyl-2-undecylpropanedioate
CID 153423754
lithium;potassium;2-tert-butyl-2-propylpropanedioate
CID 139411179
2-tert-butyl-2-decylpropanedioic acid
CID 139411114
2-hexyl-2-methylpentadecanoate
CID 57350898
aluminum tris(2,2-ditert-butyloctadecanoate)
CID 173347766
bis(2,2-dimethyloctanoate);tin(2+) dihydride
CID 173040991
lithium;sodium;2-dodecyl-2-nonylpropanedioate
CID 139411097
calcium 2,2-didodecylpropanedioate
CID 153423845
(2S)-2-azaniumyl-2-methyloctanoate
CID 36689547
copper(1+);2,2-dimethylheptanoate
CID 159491834
tris(2,2-dihexyloctanoate);neodymium(3+)
CID 159599311

Frequently Asked Questions

What is the IUPAC name of dilithium;2-tert-butyl-2-heptylpropanedioate?
The IUPAC name of dilithium;2-tert-butyl-2-heptylpropanedioate (CID 139411367) is dilithium;2-tert-butyl-2-heptylpropanedioate.
What is the SMILES notation for dilithium;2-tert-butyl-2-heptylpropanedioate?
The canonical SMILES for dilithium;2-tert-butyl-2-heptylpropanedioate is CCCCCCCC(C(=O)[O-])(C(=O)[O-])C(C)(C)C.[Li+].[Li+].
What is the InChIKey of dilithium;2-tert-butyl-2-heptylpropanedioate?
The InChIKey is RNRJOXWHUKRMEW-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H26O4.2Li/c1-5-6-7-8-9-10-14(11(15)16,12(17)18)13(2,3)4;;/h5-10H2,1-4H3,(H,15,16)(H,17,18);;/q;2*+1/p-2.
What are the key properties of dilithium;2-tert-butyl-2-heptylpropanedioate?
dilithium;2-tert-butyl-2-heptylpropanedioate has a molecular weight of 270.22 g/mol, XLogP of -5.11, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;2-tert-butyl-2-heptylpropanedioate is sourced from PubChem (CID 139411367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).