dilithium;2-pentyl-2-phenylpropanedioate

C14H16Li2O4 — CID 139412066

IUPACdilithium;2-pentyl-2-phenylpropanedioate
SMILESCCCCCC(C(=O)[O-])(C(=O)[O-])c1ccccc1.[Li+].[Li+]
InChIInChI=1S/C14H18O4.2Li/c1-2-3-7-10-14(12(15)16,13(17)18)11-8-5-4-6-9-11;;/h4-6,8-9H,2-3,7,10H2,1H3,(H,15,16)(H,17,18);;/q;2*+1/p-2
InChIKeyWEFZUFBEZYLIPH-UHFFFAOYSA-L
MW262.16 g/mol
LogP-5.99
Rot. Bonds7

About dilithium;2-pentyl-2-phenylpropanedioate

dilithium;2-pentyl-2-phenylpropanedioate (PubChem CID 139412066) has the molecular formula C14H16Li2O4 and a molecular weight of 262.16 g/mol. Its IUPAC name is dilithium;2-pentyl-2-phenylpropanedioate.

Molecular Properties

Compound Namedilithium;2-pentyl-2-phenylpropanedioate
PubChem CID139412066
Molecular FormulaC14H16Li2O4
Molecular Weight262.16 g/mol
Exact Mass262.14
IUPAC Namedilithium;2-pentyl-2-phenylpropanedioate
SMILESCCCCCC(C(=O)[O-])(C(=O)[O-])c1ccccc1.[Li+].[Li+]
InChIInChI=1S/C14H18O4.2Li/c1-2-3-7-10-14(12(15)16,13(17)18)11-8-5-4-6-9-11;;/h4-6,8-9H,2-3,7,10H2,1H3,(H,15,16)(H,17,18);;/q;2*+1/p-2
InChIKeyWEFZUFBEZYLIPH-UHFFFAOYSA-L
XLogP-5.99
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.16
LogP ≤ 5-5.99
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-decyl-2-phenylpropanedioate
CID 139412057
dilithium;2-butyl-2-phenylpropanedioate
CID 139411834
dipotassium;2-butyl-2-phenylpropanedioate
CID 139411291
2-nonyl-2-phenylpropanedioic acid
CID 70554602
calcium;2-hexyl-2-phenylpropanedioic acid;hydride
CID 174967829
calcium;hydride;2-octyl-2-phenylpropanedioic acid
CID 174969095
barium(2+);2-decyl-2-phenylpropanedioic acid;hydride
CID 174968847
magnesium;2-hexyl-2-phenylpropanedioic acid;hydride
CID 174968694
potassium;sodium;2-dodecyl-2-phenylpropanedioic acid;hydride
CID 174968534
sodium 2-methyl-2-phenyltetradecanoate
CID 175370916
2-methyl-2-phenyldecanoic acid
CID 154177551
2-bromo-2-phenylheptanamide
CID 57012582

Frequently Asked Questions

What is the IUPAC name of dilithium;2-pentyl-2-phenylpropanedioate?
The IUPAC name of dilithium;2-pentyl-2-phenylpropanedioate (CID 139412066) is dilithium;2-pentyl-2-phenylpropanedioate.
What is the SMILES notation for dilithium;2-pentyl-2-phenylpropanedioate?
The canonical SMILES for dilithium;2-pentyl-2-phenylpropanedioate is CCCCCC(C(=O)[O-])(C(=O)[O-])c1ccccc1.[Li+].[Li+].
What is the InChIKey of dilithium;2-pentyl-2-phenylpropanedioate?
The InChIKey is WEFZUFBEZYLIPH-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H18O4.2Li/c1-2-3-7-10-14(12(15)16,13(17)18)11-8-5-4-6-9-11;;/h4-6,8-9H,2-3,7,10H2,1H3,(H,15,16)(H,17,18);;/q;2*+1/p-2.
What are the key properties of dilithium;2-pentyl-2-phenylpropanedioate?
dilithium;2-pentyl-2-phenylpropanedioate has a molecular weight of 262.16 g/mol, XLogP of -5.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;2-pentyl-2-phenylpropanedioate is sourced from PubChem (CID 139412066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).