dilithium;4,6-ditert-butyl-2-(3,5-ditert-butyl-2-methyl-6-oxidophenyl)-3-methylphenolate

C30H44Li2O2 — CID 11236288

IUPACdilithium;4,6-ditert-butyl-2-(3,5-ditert-butyl-2-methyl-6-oxidophenyl)-3-methylphenolate
SMILESCc1c(C(C)(C)C)cc(C(C)(C)C)c([O-])c1-c1c(C)c(C(C)(C)C)cc(C(C)(C)C)c1[O-].[Li+].[Li+]
InChIInChI=1S/C30H46O2.2Li/c1-17-19(27(3,4)5)15-21(29(9,10)11)25(31)23(17)24-18(2)20(28(6,7)8)16-22(26(24)32)30(12,13)14;;/h15-16,31-32H,1-14H3;;/q;2*+1/p-2
InChIKeyGIULADKQDGKFFV-UHFFFAOYSA-L
MW450.56 g/mol
LogP1.32
Rot. Bonds1

About dilithium;4,6-ditert-butyl-2-(3,5-ditert-butyl-2-methyl-6-oxidophenyl)-3-methylphenolate

dilithium;4,6-ditert-butyl-2-(3,5-ditert-butyl-2-methyl-6-oxidophenyl)-3-methylphenolate (PubChem CID 11236288) has the molecular formula C30H44Li2O2 and a molecular weight of 450.56 g/mol. Its IUPAC name is dilithium;4,6-ditert-butyl-2-(3,5-ditert-butyl-2-methyl-6-oxidophenyl)-3-methylphenolate.

Molecular Properties

Compound Namedilithium;4,6-ditert-butyl-2-(3,5-ditert-butyl-2-methyl-6-oxidophenyl)-3-methylphenolate
PubChem CID11236288
Molecular FormulaC30H44Li2O2
Molecular Weight450.56 g/mol
Exact Mass450.37
IUPAC Namedilithium;4,6-ditert-butyl-2-(3,5-ditert-butyl-2-methyl-6-oxidophenyl)-3-methylphenolate
SMILESCc1c(C(C)(C)C)cc(C(C)(C)C)c([O-])c1-c1c(C)c(C(C)(C)C)cc(C(C)(C)C)c1[O-].[Li+].[Li+]
InChIInChI=1S/C30H46O2.2Li/c1-17-19(27(3,4)5)15-21(29(9,10)11)25(31)23(17)24-18(2)20(28(6,7)8)16-22(26(24)32)30(12,13)14;;/h15-16,31-32H,1-14H3;;/q;2*+1/p-2
InChIKeyGIULADKQDGKFFV-UHFFFAOYSA-L
XLogP1.32
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-ditert-butyl-2-(3,5-ditert-butyl-2-hydroxy-6-methylphenyl)-3-methylphenol
CID 11236289
calcium bis(2,6-ditert-butyl-4-methylphenolate)
CID 162348693
lithium 2-tert-butyl-4,6-dimethylphenolate
CID 23711471
1,2-ditert-butyl-3,4,5,6-tetramethylbenzene;1,5-ditert-butyl-2,3,4-trimethylbenzene
CID 157157591
1,3-ditert-butyl-2,5-dimethylbenzene;ethane
CID 158807348
2,4-ditert-butyl-1,6,7-trimethylnaphthalene
CID 171579051
bis(2-amino-4,6-ditert-butylphenolate);cobalt(2+)
CID 24809192
molybdenum;bis(2,4,6,8-tetratert-butylphenoxazin-10-ide-1,9-diolate)
CID 139142287
chromium(6+);bis(2,4,6,8-tetratert-butylphenoxazin-10-ide-1,9-diolate)
CID 139142290
1-tert-butyl-3,5-diiodo-2-methylbenzene
CID 146354374
3,5-ditert-butyl-2-methylaniline
CID 143364631
tris(2,6-ditert-butyl-4-methylphenolate);N,N'-di(propan-2-yl)methanediimine;ytterbium(3+)
CID 139135633

Frequently Asked Questions

What is the IUPAC name of dilithium;4,6-ditert-butyl-2-(3,5-ditert-butyl-2-methyl-6-oxidophenyl)-3-methylphenolate?
The IUPAC name of dilithium;4,6-ditert-butyl-2-(3,5-ditert-butyl-2-methyl-6-oxidophenyl)-3-methylphenolate (CID 11236288) is dilithium;4,6-ditert-butyl-2-(3,5-ditert-butyl-2-methyl-6-oxidophenyl)-3-methylphenolate.
What is the SMILES notation for dilithium;4,6-ditert-butyl-2-(3,5-ditert-butyl-2-methyl-6-oxidophenyl)-3-methylphenolate?
The canonical SMILES for dilithium;4,6-ditert-butyl-2-(3,5-ditert-butyl-2-methyl-6-oxidophenyl)-3-methylphenolate is Cc1c(C(C)(C)C)cc(C(C)(C)C)c([O-])c1-c1c(C)c(C(C)(C)C)cc(C(C)(C)C)c1[O-].[Li+].[Li+].
What is the InChIKey of dilithium;4,6-ditert-butyl-2-(3,5-ditert-butyl-2-methyl-6-oxidophenyl)-3-methylphenolate?
The InChIKey is GIULADKQDGKFFV-UHFFFAOYSA-L. The full InChI is InChI=1S/C30H46O2.2Li/c1-17-19(27(3,4)5)15-21(29(9,10)11)25(31)23(17)24-18(2)20(28(6,7)8)16-22(26(24)32)30(12,13)14;;/h15-16,31-32H,1-14H3;;/q;2*+1/p-2.
What are the key properties of dilithium;4,6-ditert-butyl-2-(3,5-ditert-butyl-2-methyl-6-oxidophenyl)-3-methylphenolate?
dilithium;4,6-ditert-butyl-2-(3,5-ditert-butyl-2-methyl-6-oxidophenyl)-3-methylphenolate has a molecular weight of 450.56 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;4,6-ditert-butyl-2-(3,5-ditert-butyl-2-methyl-6-oxidophenyl)-3-methylphenolate is sourced from PubChem (CID 11236288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).