diethyl-(2-methylcyclopent-2-en-1-yl)alumane

C10H19Al — CID 145373363

IUPACdiethyl-(2-methylcyclopent-2-en-1-yl)alumane
SMILESCC[Al](CC)C1CCC=C1C
InChIInChI=1S/C6H9.2C2H5.Al/c1-6-4-2-3-5-6;2*1-2;/h4-5H,2-3H2,1H3;2*1H2,2H3;
InChIKeyHMRAXJVYIPFBJV-UHFFFAOYSA-N
MW166.24 g/mol
LogP3.63
Rot. Bonds3

About diethyl-(2-methylcyclopent-2-en-1-yl)alumane

diethyl-(2-methylcyclopent-2-en-1-yl)alumane (PubChem CID 145373363) has the molecular formula C10H19Al and a molecular weight of 166.24 g/mol. Its IUPAC name is diethyl-(2-methylcyclopent-2-en-1-yl)alumane.

Molecular Properties

Compound Namediethyl-(2-methylcyclopent-2-en-1-yl)alumane
PubChem CID145373363
Molecular FormulaC10H19Al
Molecular Weight166.24 g/mol
Exact Mass166.13
IUPAC Namediethyl-(2-methylcyclopent-2-en-1-yl)alumane
SMILESCC[Al](CC)C1CCC=C1C
InChIInChI=1S/C6H9.2C2H5.Al/c1-6-4-2-3-5-6;2*1-2;/h4-5H,2-3H2,1H3;2*1H2,2H3;
InChIKeyHMRAXJVYIPFBJV-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

lithium (1R)-2-methylcyclopent-2-en-1-olate
CID 102224850
1-methyl-5-(2-methylbutyl)cyclopentene
CID 163754546
triethyl-[(1R)-2-methylcyclopent-2-en-1-yl]oxysilane
CID 10680073
trimethyl-(2-methylcyclopent-2-en-1-yl)silane
CID 71333159
(2-methylcyclopent-2-en-1-yl) cyanate
CID 130191258
2-(2-methylcyclopent-2-en-1-yl)acetaldehyde
CID 59679584
2,7-dimethylbicyclo[4.1.0]hept-2-ene
CID 13427831
1-(2,6-dimethylcyclohex-2-en-1-yl)butan-2-amine
CID 130835898
[(1S)-2-methylcyclopent-2-en-1-yl] butanoate
CID 67826097
N-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-2-ethylsulfonyl-N-methylethanamine
CID 100662419
(1Z,6R,8S)-8-ethyl-1,6-dimethylcyclooctene
CID 178125074
1,7-dimethylcycloheptene
CID 13493194

Frequently Asked Questions

What is the IUPAC name of diethyl-(2-methylcyclopent-2-en-1-yl)alumane?
The IUPAC name of diethyl-(2-methylcyclopent-2-en-1-yl)alumane (CID 145373363) is diethyl-(2-methylcyclopent-2-en-1-yl)alumane.
What is the SMILES notation for diethyl-(2-methylcyclopent-2-en-1-yl)alumane?
The canonical SMILES for diethyl-(2-methylcyclopent-2-en-1-yl)alumane is CC[Al](CC)C1CCC=C1C.
What is the InChIKey of diethyl-(2-methylcyclopent-2-en-1-yl)alumane?
The InChIKey is HMRAXJVYIPFBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9.2C2H5.Al/c1-6-4-2-3-5-6;2*1-2;/h4-5H,2-3H2,1H3;2*1H2,2H3;.
What are the key properties of diethyl-(2-methylcyclopent-2-en-1-yl)alumane?
diethyl-(2-methylcyclopent-2-en-1-yl)alumane has a molecular weight of 166.24 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(2-methylcyclopent-2-en-1-yl)alumane is sourced from PubChem (CID 145373363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).