bis(dec-9-enyl)-ethylalumane

C22H43Al — CID 140941033

IUPACbis(dec-9-enyl)-ethylalumane
SMILESC=CCCCCCCCC[Al](CC)CCCCCCCCC=C
InChIInChI=1S/2C10H19.C2H5.Al/c2*1-3-5-7-9-10-8-6-4-2;1-2;/h2*3H,1-2,4-10H2;1H2,2H3;
InChIKeyIVEUVYHOUBFKRT-UHFFFAOYSA-N
MW334.57 g/mol
LogP8.33
Rot. Bonds19

About bis(dec-9-enyl)-ethylalumane

bis(dec-9-enyl)-ethylalumane (PubChem CID 140941033) has the molecular formula C22H43Al and a molecular weight of 334.57 g/mol. Its IUPAC name is bis(dec-9-enyl)-ethylalumane.

Molecular Properties

Compound Namebis(dec-9-enyl)-ethylalumane
PubChem CID140941033
Molecular FormulaC22H43Al
Molecular Weight334.57 g/mol
Exact Mass334.32
IUPAC Namebis(dec-9-enyl)-ethylalumane
SMILESC=CCCCCCCCC[Al](CC)CCCCCCCCC=C
InChIInChI=1S/2C10H19.C2H5.Al/c2*1-3-5-7-9-10-8-6-4-2;1-2;/h2*3H,1-2,4-10H2;1H2,2H3;
InChIKeyIVEUVYHOUBFKRT-UHFFFAOYSA-N
XLogP8.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.57
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

oct-7-enyl(dioctyl)alumane
CID 164808978
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadec-1-ene;tetradec-1-ene
CID 158470925
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
octadecane;octadec-1-ene
CID 162018238
dec-1-ene;ethene
CID 161044144
oct-1-ene;tetrahydrochloride
CID 172847494
oct-1-ene;hydrobromide
CID 88838560

Frequently Asked Questions

What is the IUPAC name of bis(dec-9-enyl)-ethylalumane?
The IUPAC name of bis(dec-9-enyl)-ethylalumane (CID 140941033) is bis(dec-9-enyl)-ethylalumane.
What is the SMILES notation for bis(dec-9-enyl)-ethylalumane?
The canonical SMILES for bis(dec-9-enyl)-ethylalumane is C=CCCCCCCCC[Al](CC)CCCCCCCCC=C.
What is the InChIKey of bis(dec-9-enyl)-ethylalumane?
The InChIKey is IVEUVYHOUBFKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H19.C2H5.Al/c2*1-3-5-7-9-10-8-6-4-2;1-2;/h2*3H,1-2,4-10H2;1H2,2H3;.
What are the key properties of bis(dec-9-enyl)-ethylalumane?
bis(dec-9-enyl)-ethylalumane has a molecular weight of 334.57 g/mol, XLogP of 8.33, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dec-9-enyl)-ethylalumane is sourced from PubChem (CID 140941033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).