dilithium;1,2-di(butylidene)cyclohexane

C14H22Li2 — CID 11241150

IUPACdilithium;1,2-di(butylidene)cyclohexane
SMILESCCC/[C-]=C1\CCCC\C1=[C-]/CCC.[Li+].[Li+]
InChIInChI=1S/C14H22.2Li/c1-3-5-9-13-11-7-8-12-14(13)10-6-4-2;;/h3-8,11-12H2,1-2H3;;/q-2;2*+1
InChIKeyPWRBJUSKRWPUND-UHFFFAOYSA-N
MW204.21 g/mol
LogP-1.37
Rot. Bonds4

About dilithium;1,2-di(butylidene)cyclohexane

dilithium;1,2-di(butylidene)cyclohexane (PubChem CID 11241150) has the molecular formula C14H22Li2 and a molecular weight of 204.21 g/mol. Its IUPAC name is dilithium;1,2-di(butylidene)cyclohexane.

Molecular Properties

Compound Namedilithium;1,2-di(butylidene)cyclohexane
PubChem CID11241150
Molecular FormulaC14H22Li2
Molecular Weight204.21 g/mol
Exact Mass204.20
IUPAC Namedilithium;1,2-di(butylidene)cyclohexane
SMILESCCC/[C-]=C1\CCCC\C1=[C-]/CCC.[Li+].[Li+]
InChIInChI=1S/C14H22.2Li/c1-3-5-9-13-11-7-8-12-14(13)10-6-4-2;;/h3-8,11-12H2,1-2H3;;/q-2;2*+1
InChIKeyPWRBJUSKRWPUND-UHFFFAOYSA-N
XLogP-1.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 5-1.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dilithium;1,2-di(butylidene)cyclohexane 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

Cyclohexane, (1-methylethylidene)-
CID 138578
1,2,3,4-Tetramethyl-1,3-cyclohexadiene
CID 14001368
Cyclohexane, hexakis(1-methylethylidene)-
CID 10892708
Diisopropylidenecyclohexane
CID 57564413
1(7),3,8-ortho-Menthatriene
CID 6430776
3,4-Diethyl-2,5-dimethylhexa-2,4-diene
CID 15696318
1,2,3,4-Tetraethyl-1,4-dilithio-1,3-butadiene
CID 11423896
Dilithium;1-oct-4-en-4-ylcyclohexene
CID 134880482
Dilithium;1-hex-3-en-3-ylcyclohexene
CID 134895914
Dilithium;1,2-di(propylidene)cyclohexane
CID 134896041
Dilithium;5-but-2-en-2-yldec-5-ene
CID 164665606
3,5-Octadiene, 4,5-diethyl-3,6-dimethyl-
CID 5370095

Frequently Asked Questions

What is the IUPAC name of dilithium;1,2-di(butylidene)cyclohexane?
The IUPAC name of dilithium;1,2-di(butylidene)cyclohexane (CID 11241150) is dilithium;1,2-di(butylidene)cyclohexane.
What is the SMILES notation for dilithium;1,2-di(butylidene)cyclohexane?
The canonical SMILES for dilithium;1,2-di(butylidene)cyclohexane is CCC/[C-]=C1\CCCC\C1=[C-]/CCC.[Li+].[Li+].
What is the InChIKey of dilithium;1,2-di(butylidene)cyclohexane?
The InChIKey is PWRBJUSKRWPUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.2Li/c1-3-5-9-13-11-7-8-12-14(13)10-6-4-2;;/h3-8,11-12H2,1-2H3;;/q-2;2*+1.
What are the key properties of dilithium;1,2-di(butylidene)cyclohexane?
dilithium;1,2-di(butylidene)cyclohexane has a molecular weight of 204.21 g/mol, XLogP of -1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;1,2-di(butylidene)cyclohexane is sourced from PubChem (CID 11241150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).