dilithium;1,2-di(propylidene)cyclohexane

C12H18Li2 — CID 134896041

IUPACdilithium;1,2-di(propylidene)cyclohexane
SMILESCC/[C-]=C1\CCCC\C1=[C-]/CC.[Li+].[Li+]
InChIInChI=1S/C12H18.2Li/c1-3-7-11-9-5-6-10-12(11)8-4-2;;/h3-6,9-10H2,1-2H3;;/q-2;2*+1
InChIKeyLEDSZIQDVMNTSO-UHFFFAOYSA-N
MW176.16 g/mol
LogP-2.15
Rot. Bonds2

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

dilithium;1,2-di(propylidene)cyclohexane (PubChem CID 134896041) has the molecular formula C12H18Li2 and a molecular weight of 176.16 g/mol. Its IUPAC name is dilithium;1,2-di(propylidene)cyclohexane.

Molecular Properties

Compound Namedilithium;1,2-di(propylidene)cyclohexane
PubChem CID134896041
Molecular FormulaC12H18Li2
Molecular Weight176.16 g/mol
Exact Mass176.17
IUPAC Namedilithium;1,2-di(propylidene)cyclohexane
SMILESCC/[C-]=C1\CCCC\C1=[C-]/CC.[Li+].[Li+]
InChIInChI=1S/C12H18.2Li/c1-3-7-11-9-5-6-10-12(11)8-4-2;;/h3-6,9-10H2,1-2H3;;/q-2;2*+1
InChIKeyLEDSZIQDVMNTSO-UHFFFAOYSA-N
XLogP-2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.16
LogP ≤ 5-2.15
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

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
Dilithium;1,2-di(butylidene)cyclohexane
CID 11241150
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;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(propylidene)cyclohexane?
The IUPAC name of dilithium;1,2-di(propylidene)cyclohexane (CID 134896041) is dilithium;1,2-di(propylidene)cyclohexane.
What is the SMILES notation for dilithium;1,2-di(propylidene)cyclohexane?
The canonical SMILES for dilithium;1,2-di(propylidene)cyclohexane is CC/[C-]=C1\CCCC\C1=[C-]/CC.[Li+].[Li+].
What is the InChIKey of dilithium;1,2-di(propylidene)cyclohexane?
The InChIKey is LEDSZIQDVMNTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.2Li/c1-3-7-11-9-5-6-10-12(11)8-4-2;;/h3-6,9-10H2,1-2H3;;/q-2;2*+1.
What are the key properties of dilithium;1,2-di(propylidene)cyclohexane?
dilithium;1,2-di(propylidene)cyclohexane has a molecular weight of 176.16 g/mol, XLogP of -2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;1,2-di(propylidene)cyclohexane is sourced from PubChem (CID 134896041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).