dilithium;1,3-bis[3-methyl-1-(4-methylphenyl)pentyl]benzene

C32H40Li2 — CID 24942633

IUPACdilithium;1,3-bis[3-methyl-1-(4-methylphenyl)pentyl]benzene
SMILESCCC(C)C[C-](c1ccc(C)cc1)c1cccc([C-](CC(C)CC)c2ccc(C)cc2)c1.[Li+].[Li+]
InChIInChI=1S/C32H40.2Li/c1-7-23(3)20-31(27-16-12-25(5)13-17-27)29-10-9-11-30(22-29)32(21-24(4)8-2)28-18-14-26(6)15-19-28;;/h9-19,22-24H,7-8,20-21H2,1-6H3;;/q-2;2*+1
InChIKeyUXWYHCNTLCUXER-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.13
Rot. Bonds10

About dilithium;1,3-bis[3-methyl-1-(4-methylphenyl)pentyl]benzene

dilithium;1,3-bis[3-methyl-1-(4-methylphenyl)pentyl]benzene (PubChem CID 24942633) has the molecular formula C32H40Li2 and a molecular weight of 438.55 g/mol. Its IUPAC name is dilithium;1,3-bis[3-methyl-1-(4-methylphenyl)pentyl]benzene.

Molecular Properties

Compound Namedilithium;1,3-bis[3-methyl-1-(4-methylphenyl)pentyl]benzene
PubChem CID24942633
Molecular FormulaC32H40Li2
Molecular Weight438.55 g/mol
Exact Mass438.35
IUPAC Namedilithium;1,3-bis[3-methyl-1-(4-methylphenyl)pentyl]benzene
SMILESCCC(C)C[C-](c1ccc(C)cc1)c1cccc([C-](CC(C)CC)c2ccc(C)cc2)c1.[Li+].[Li+]
InChIInChI=1S/C32H40.2Li/c1-7-23(3)20-31(27-16-12-25(5)13-17-27)29-10-9-11-30(22-29)32(21-24(4)8-2)28-18-14-26(6)15-19-28;;/h9-19,22-24H,7-8,20-21H2,1-6H3;;/q-2;2*+1
InChIKeyUXWYHCNTLCUXER-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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;1,3-bis[3-methyl-1-(4-methylphenyl)pentyl]benzene?
The IUPAC name of dilithium;1,3-bis[3-methyl-1-(4-methylphenyl)pentyl]benzene (CID 24942633) is dilithium;1,3-bis[3-methyl-1-(4-methylphenyl)pentyl]benzene.
What is the SMILES notation for dilithium;1,3-bis[3-methyl-1-(4-methylphenyl)pentyl]benzene?
The canonical SMILES for dilithium;1,3-bis[3-methyl-1-(4-methylphenyl)pentyl]benzene is CCC(C)C[C-](c1ccc(C)cc1)c1cccc([C-](CC(C)CC)c2ccc(C)cc2)c1.[Li+].[Li+].
What is the InChIKey of dilithium;1,3-bis[3-methyl-1-(4-methylphenyl)pentyl]benzene?
The InChIKey is UXWYHCNTLCUXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40.2Li/c1-7-23(3)20-31(27-16-12-25(5)13-17-27)29-10-9-11-30(22-29)32(21-24(4)8-2)28-18-14-26(6)15-19-28;;/h9-19,22-24H,7-8,20-21H2,1-6H3;;/q-2;2*+1.
What are the key properties of dilithium;1,3-bis[3-methyl-1-(4-methylphenyl)pentyl]benzene?
dilithium;1,3-bis[3-methyl-1-(4-methylphenyl)pentyl]benzene has a molecular weight of 438.55 g/mol, XLogP of 3.13, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;1,3-bis[3-methyl-1-(4-methylphenyl)pentyl]benzene is sourced from PubChem (CID 24942633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).