dilithium;4,5-diethylocta-3,5-diene

C12H20Li2 — CID 11423896

IUPACdilithium;4,5-diethylocta-3,5-diene
SMILESCC/[C-]=C(CC)/C(=[C-]/CC)CC.[Li+].[Li+]
InChIInChI=1S/C12H20.2Li/c1-5-9-11(7-3)12(8-4)10-6-2;;/h5-8H2,1-4H3;;/q-2;2*+1
InChIKeyMTYOQUYSJJGCQK-UHFFFAOYSA-N
MW178.17 g/mol
LogP-1.91
Rot. Bonds5

About dilithium;4,5-diethylocta-3,5-diene

dilithium;4,5-diethylocta-3,5-diene (PubChem CID 11423896) has the molecular formula C12H20Li2 and a molecular weight of 178.17 g/mol. Its IUPAC name is dilithium;4,5-diethylocta-3,5-diene.

Molecular Properties

Compound Namedilithium;4,5-diethylocta-3,5-diene
PubChem CID11423896
Molecular FormulaC12H20Li2
Molecular Weight178.17 g/mol
Exact Mass178.19
IUPAC Namedilithium;4,5-diethylocta-3,5-diene
SMILESCC/[C-]=C(CC)/C(=[C-]/CC)CC.[Li+].[Li+]
InChIInChI=1S/C12H20.2Li/c1-5-9-11(7-3)12(8-4)10-6-2;;/h5-8H2,1-4H3;;/q-2;2*+1
InChIKeyMTYOQUYSJJGCQK-UHFFFAOYSA-N
XLogP-1.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 5-1.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dilithium;4,5-diethylocta-3,5-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Heptene, 2,3-dimethyl-
CID 137816
2,3,6,7-Tetramethylocta-2,6-diene
CID 13378707
1,2,3,4-Tetramethyl-1,3-cyclohexadiene
CID 14001368
Diisopropylidenecyclohexane
CID 57564413
5,6-Dimethyldec-5-ene
CID 76666837
4-Ethyl-5-methyl-4-nonene
CID 123787194
3-Ethyl-2-methylhex-2-ene
CID 123944315
2,3-Diethyl-3-heptene
CID 142782
5,6-Dimethyl-5-decene
CID 58098463
1,2,3,4,5,6-Hexamethylcyclohepta-1,3,5-triene
CID 12518386
3,4-Diethyl-2,5-dimethylhexa-2,4-diene
CID 15696318
Dilithio-1,2,3,4-tetrapropyl-1,3-butadiene
CID 11172360

Frequently Asked Questions

What is the IUPAC name of dilithium;4,5-diethylocta-3,5-diene?
The IUPAC name of dilithium;4,5-diethylocta-3,5-diene (CID 11423896) is dilithium;4,5-diethylocta-3,5-diene.
What is the SMILES notation for dilithium;4,5-diethylocta-3,5-diene?
The canonical SMILES for dilithium;4,5-diethylocta-3,5-diene is CC/[C-]=C(CC)/C(=[C-]/CC)CC.[Li+].[Li+].
What is the InChIKey of dilithium;4,5-diethylocta-3,5-diene?
The InChIKey is MTYOQUYSJJGCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20.2Li/c1-5-9-11(7-3)12(8-4)10-6-2;;/h5-8H2,1-4H3;;/q-2;2*+1.
What are the key properties of dilithium;4,5-diethylocta-3,5-diene?
dilithium;4,5-diethylocta-3,5-diene has a molecular weight of 178.17 g/mol, XLogP of -1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;4,5-diethylocta-3,5-diene is sourced from PubChem (CID 11423896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).