dilithium;cycloocta-1,3,6-triene

C8H8Li2 — CID 15972602

IUPACdilithium;cycloocta-1,3,6-triene
SMILES[Li+].[Li+].c1cc[cH-]cc[cH-]c1
InChIInChI=1S/C8H8.2Li/c1-2-4-6-8-7-5-3-1;;/h1-8H;;/q-2;2*+1/b2-1-,5-3-,8-6-;;
InChIKeySECBSXNYDJOATE-YGFQESQOSA-N
MW118.03 g/mol
LogP-3.74
Rot. Bonds

About dilithium;cycloocta-1,3,6-triene

dilithium;cycloocta-1,3,6-triene (PubChem CID 15972602) has the molecular formula C8H8Li2 and a molecular weight of 118.03 g/mol. Its IUPAC name is dilithium;cycloocta-1,3,6-triene.

Molecular Properties

Compound Namedilithium;cycloocta-1,3,6-triene
PubChem CID15972602
Molecular FormulaC8H8Li2
Molecular Weight118.03 g/mol
Exact Mass118.09
IUPAC Namedilithium;cycloocta-1,3,6-triene
SMILES[Li+].[Li+].c1cc[cH-]cc[cH-]c1
InChIInChI=1S/C8H8.2Li/c1-2-4-6-8-7-5-3-1;;/h1-8H;;/q-2;2*+1/b2-1-,5-3-,8-6-;;
InChIKeySECBSXNYDJOATE-YGFQESQOSA-N
XLogP-3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.03
LogP ≤ 5-3.74
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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Related Compounds

bis(cyclopenta-1,3-diene);gold
CID 140990202
bis(cyclopenta-1,3-diene);nickel
CID 25199994
bis(cyclopenta-1,3-diene);uranium(2+)
CID 154419061
cobalt;cyclopenta-1,3-diene
CID 25199992
cyclopenta-1,3-diene;nickel;ruthenium(1+)
CID 161314247
carbanide;cyclopenta-1,3-diene;manganese
CID 140917109
bis(cyclopenta-1,3-diene);iron;iron(2+)
CID 160503469
tetrakis(cyclopenta-1,3-diene);zirconium;zirconium(4+)
CID 161107864
carbanide;cyclopenta-1,3-diene;iron(3+)
CID 139939973
carbanide;bis(cyclopenta-1,3-diene);zirconium(4+)
CID 72747194
carbanide;tris(cyclopenta-1,3-diene);tris(yttrium)
CID 175586700
cyclopenta-1,3-diene;neodymium(3+);dichloride
CID 137481493

Frequently Asked Questions

What is the IUPAC name of dilithium;cycloocta-1,3,6-triene?
The IUPAC name of dilithium;cycloocta-1,3,6-triene (CID 15972602) is dilithium;cycloocta-1,3,6-triene.
What is the SMILES notation for dilithium;cycloocta-1,3,6-triene?
The canonical SMILES for dilithium;cycloocta-1,3,6-triene is [Li+].[Li+].c1cc[cH-]cc[cH-]c1.
What is the InChIKey of dilithium;cycloocta-1,3,6-triene?
The InChIKey is SECBSXNYDJOATE-YGFQESQOSA-N. The full InChI is InChI=1S/C8H8.2Li/c1-2-4-6-8-7-5-3-1;;/h1-8H;;/q-2;2*+1/b2-1-,5-3-,8-6-;;.
What are the key properties of dilithium;cycloocta-1,3,6-triene?
dilithium;cycloocta-1,3,6-triene has a molecular weight of 118.03 g/mol, XLogP of -3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;cycloocta-1,3,6-triene is sourced from PubChem (CID 15972602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).