aluminum;lithium;butane;carbanide;1,3,3-trimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexene

C20H36AlLi — CID 11823059

IUPACaluminum;lithium;butane;carbanide;1,3,3-trimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexene
SMILES[Al+3].[CH2-]CCC.[CH3-].[CH3-].[H]/[C-]=C(C)\C=C\C1=C(C)CCCC1(C)C.[Li+]
InChIInChI=1S/C14H21.C4H9.2CH3.Al.Li/c1-11(2)8-9-13-12(3)7-6-10-14(13,4)5;1-3-4-2;;;;/h1,8-9H,6-7,10H2,2-5H3;1,3-4H2,2H3;2*1H3;;/q4*-1;+3;+1/b9-8+;;;;;
InChIKeyMIINZTPLHNNBPH-IWLYPTDSSA-N
MW310.43 g/mol
LogP3.59
Rot. Bonds3

About aluminum;lithium;butane;carbanide;1,3,3-trimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexene

aluminum;lithium;butane;carbanide;1,3,3-trimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexene (PubChem CID 11823059) has the molecular formula C20H36AlLi and a molecular weight of 310.43 g/mol. Its IUPAC name is aluminum;lithium;butane;carbanide;1,3,3-trimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexene.

Molecular Properties

Compound Namealuminum;lithium;butane;carbanide;1,3,3-trimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexene
PubChem CID11823059
Molecular FormulaC20H36AlLi
Molecular Weight310.43 g/mol
Exact Mass310.28
IUPAC Namealuminum;lithium;butane;carbanide;1,3,3-trimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexene
SMILES[Al+3].[CH2-]CCC.[CH3-].[CH3-].[H]/[C-]=C(C)\C=C\C1=C(C)CCCC1(C)C.[Li+]
InChIInChI=1S/C14H21.C4H9.2CH3.Al.Li/c1-11(2)8-9-13-12(3)7-6-10-14(13,4)5;1-3-4-2;;;;/h1,8-9H,6-7,10H2,2-5H3;1,3-4H2,2H3;2*1H3;;/q4*-1;+3;+1/b9-8+;;;;;
InChIKeyMIINZTPLHNNBPH-IWLYPTDSSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.59
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 aluminum;lithium;butane;carbanide;1,3,3-trimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexene with MolForge

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Launch Full Analysis

Related Compounds

4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
CID 77238031
(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)(1,2-13C2)penta-2,4-dien-1-ol
CID 10609084
2-[3,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaenyl]-1,3,3-trimethylcyclohexene
CID 54413330
2-[(1E,3E,5E,7E,9E)-3,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaenyl]-1,3,3-trimethylcyclohexene
CID 14991237
(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoic acid
CID 5383969
2-[(1E,3E,5Z)-3,7-dimethylnona-1,3,5-trienyl]-1,3,3-trimethylcyclohexene
CID 58372019
butyl-dimethyl-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]alumanuide
CID 16689709
1,3,3-trimethyl-2-[(1Z,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
CID 54612003
carbon monoxide;iron;(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
CID 11759358
sodium;(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one;acetate
CID 70627257
(4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienal
CID 148810051
5-hydroxy-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-3-one
CID 71336953

Frequently Asked Questions

What is the IUPAC name of aluminum;lithium;butane;carbanide;1,3,3-trimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexene?
The IUPAC name of aluminum;lithium;butane;carbanide;1,3,3-trimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexene (CID 11823059) is aluminum;lithium;butane;carbanide;1,3,3-trimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexene.
What is the SMILES notation for aluminum;lithium;butane;carbanide;1,3,3-trimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexene?
The canonical SMILES for aluminum;lithium;butane;carbanide;1,3,3-trimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexene is [Al+3].[CH2-]CCC.[CH3-].[CH3-].[H]/[C-]=C(C)\C=C\C1=C(C)CCCC1(C)C.[Li+].
What is the InChIKey of aluminum;lithium;butane;carbanide;1,3,3-trimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexene?
The InChIKey is MIINZTPLHNNBPH-IWLYPTDSSA-N. The full InChI is InChI=1S/C14H21.C4H9.2CH3.Al.Li/c1-11(2)8-9-13-12(3)7-6-10-14(13,4)5;1-3-4-2;;;;/h1,8-9H,6-7,10H2,2-5H3;1,3-4H2,2H3;2*1H3;;/q4*-1;+3;+1/b9-8+;;;;;.
What are the key properties of aluminum;lithium;butane;carbanide;1,3,3-trimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexene?
aluminum;lithium;butane;carbanide;1,3,3-trimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexene has a molecular weight of 310.43 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;lithium;butane;carbanide;1,3,3-trimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexene is sourced from PubChem (CID 11823059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).