dilithium;2-tert-butyl-4-methoxybenzene-6-id-1-olate

C11H14Li2O2 — CID 139265353

IUPACdilithium;2-tert-butyl-4-methoxybenzene-6-id-1-olate
SMILESCOc1c[c-]c([O-])c(C(C)(C)C)c1.[Li+].[Li+]
InChIInChI=1S/C11H15O2.2Li/c1-11(2,3)9-7-8(13-4)5-6-10(9)12;;/h5,7,12H,1-4H3;;/q-1;2*+1/p-1
InChIKeyWHSDLKRCDVORQJ-UHFFFAOYSA-M
MW192.11 g/mol
LogP-4.13
Rot. Bonds1

About dilithium;2-tert-butyl-4-methoxybenzene-6-id-1-olate

dilithium;2-tert-butyl-4-methoxybenzene-6-id-1-olate (PubChem CID 139265353) has the molecular formula C11H14Li2O2 and a molecular weight of 192.11 g/mol. Its IUPAC name is dilithium;2-tert-butyl-4-methoxybenzene-6-id-1-olate.

Molecular Properties

Compound Namedilithium;2-tert-butyl-4-methoxybenzene-6-id-1-olate
PubChem CID139265353
Molecular FormulaC11H14Li2O2
Molecular Weight192.11 g/mol
Exact Mass192.13
IUPAC Namedilithium;2-tert-butyl-4-methoxybenzene-6-id-1-olate
SMILESCOc1c[c-]c([O-])c(C(C)(C)C)c1.[Li+].[Li+]
InChIInChI=1S/C11H15O2.2Li/c1-11(2,3)9-7-8(13-4)5-6-10(9)12;;/h5,7,12H,1-4H3;;/q-1;2*+1/p-1
InChIKeyWHSDLKRCDVORQJ-UHFFFAOYSA-M
XLogP-4.13
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.11
LogP ≤ 5-4.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dilithium;2-tert-butyl-4-methoxybenzene-6-id-1-olate?
The IUPAC name of dilithium;2-tert-butyl-4-methoxybenzene-6-id-1-olate (CID 139265353) is dilithium;2-tert-butyl-4-methoxybenzene-6-id-1-olate.
What is the SMILES notation for dilithium;2-tert-butyl-4-methoxybenzene-6-id-1-olate?
The canonical SMILES for dilithium;2-tert-butyl-4-methoxybenzene-6-id-1-olate is COc1c[c-]c([O-])c(C(C)(C)C)c1.[Li+].[Li+].
What is the InChIKey of dilithium;2-tert-butyl-4-methoxybenzene-6-id-1-olate?
The InChIKey is WHSDLKRCDVORQJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H15O2.2Li/c1-11(2,3)9-7-8(13-4)5-6-10(9)12;;/h5,7,12H,1-4H3;;/q-1;2*+1/p-1.
What are the key properties of dilithium;2-tert-butyl-4-methoxybenzene-6-id-1-olate?
dilithium;2-tert-butyl-4-methoxybenzene-6-id-1-olate has a molecular weight of 192.11 g/mol, XLogP of -4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;2-tert-butyl-4-methoxybenzene-6-id-1-olate is sourced from PubChem (CID 139265353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).