dilithium;oct-4-en-4-ylbenzene

C14H18Li2 — CID 177428375

IUPACdilithium;oct-4-en-4-ylbenzene
SMILESCCC/[C-]=C(\CCC)c1[c-]cccc1.[Li+].[Li+]
InChIInChI=1S/C14H18.2Li/c1-3-5-10-13(9-4-2)14-11-7-6-8-12-14;;/h6-8,11H,3-5,9H2,1-2H3;;/q-2;2*+1
InChIKeyQWAHQLYHYWSPJK-UHFFFAOYSA-N
MW200.18 g/mol
LogP-1.72
Rot. Bonds5

About dilithium;oct-4-en-4-ylbenzene

dilithium;oct-4-en-4-ylbenzene (PubChem CID 177428375) has the molecular formula C14H18Li2 and a molecular weight of 200.18 g/mol. Its IUPAC name is dilithium;oct-4-en-4-ylbenzene.

Molecular Properties

Compound Namedilithium;oct-4-en-4-ylbenzene
PubChem CID177428375
Molecular FormulaC14H18Li2
Molecular Weight200.18 g/mol
Exact Mass200.17
IUPAC Namedilithium;oct-4-en-4-ylbenzene
SMILESCCC/[C-]=C(\CCC)c1[c-]cccc1.[Li+].[Li+]
InChIInChI=1S/C14H18.2Li/c1-3-5-10-13(9-4-2)14-11-7-6-8-12-14;;/h6-8,11H,3-5,9H2,1-2H3;;/q-2;2*+1
InChIKeyQWAHQLYHYWSPJK-UHFFFAOYSA-N
XLogP-1.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 5-1.72
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

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CID 154716559
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Frequently Asked Questions

What is the IUPAC name of dilithium;oct-4-en-4-ylbenzene?
The IUPAC name of dilithium;oct-4-en-4-ylbenzene (CID 177428375) is dilithium;oct-4-en-4-ylbenzene.
What is the SMILES notation for dilithium;oct-4-en-4-ylbenzene?
The canonical SMILES for dilithium;oct-4-en-4-ylbenzene is CCC/[C-]=C(\CCC)c1[c-]cccc1.[Li+].[Li+].
What is the InChIKey of dilithium;oct-4-en-4-ylbenzene?
The InChIKey is QWAHQLYHYWSPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18.2Li/c1-3-5-10-13(9-4-2)14-11-7-6-8-12-14;;/h6-8,11H,3-5,9H2,1-2H3;;/q-2;2*+1.
What are the key properties of dilithium;oct-4-en-4-ylbenzene?
dilithium;oct-4-en-4-ylbenzene has a molecular weight of 200.18 g/mol, XLogP of -1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;oct-4-en-4-ylbenzene is sourced from PubChem (CID 177428375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).