diethyl(octoxy)alumane

C12H27AlO — CID 71351019

IUPACdiethyl(octoxy)alumane
SMILESCCCCCCCCO[Al](CC)CC
InChIInChI=1S/C8H17O.2C2H5.Al/c1-2-3-4-5-6-7-8-9;2*1-2;/h2-8H2,1H3;2*1H2,2H3;/q-1;;;+1
InChIKeyJQVKYHOIFVUJQD-UHFFFAOYSA-N
MW214.33 g/mol
LogP4.39
Rot. Bonds10

About diethyl(octoxy)alumane

diethyl(octoxy)alumane (PubChem CID 71351019) has the molecular formula C12H27AlO and a molecular weight of 214.33 g/mol. Its IUPAC name is diethyl(octoxy)alumane.

Molecular Properties

Compound Namediethyl(octoxy)alumane
PubChem CID71351019
Molecular FormulaC12H27AlO
Molecular Weight214.33 g/mol
Exact Mass214.19
IUPAC Namediethyl(octoxy)alumane
SMILESCCCCCCCCO[Al](CC)CC
InChIInChI=1S/C8H17O.2C2H5.Al/c1-2-3-4-5-6-7-8-9;2*1-2;/h2-8H2,1H3;2*1H2,2H3;/q-1;;;+1
InChIKeyJQVKYHOIFVUJQD-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

decoxy(diethyl)alumane
CID 23362562
trioctoxyalumane
CID 16712392
decane;ruthenium
CID 160818595
diethyl(1-octoxypropoxy)alumane
CID 139905167
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-decoxydocosane
CID 87077677
1-dodecoxyhexadecane
CID 22256973
dodecylmercury;hydrate
CID 78070234
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-octylperoxynonane
CID 151564626

Frequently Asked Questions

What is the IUPAC name of diethyl(octoxy)alumane?
The IUPAC name of diethyl(octoxy)alumane (CID 71351019) is diethyl(octoxy)alumane.
What is the SMILES notation for diethyl(octoxy)alumane?
The canonical SMILES for diethyl(octoxy)alumane is CCCCCCCCO[Al](CC)CC.
What is the InChIKey of diethyl(octoxy)alumane?
The InChIKey is JQVKYHOIFVUJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O.2C2H5.Al/c1-2-3-4-5-6-7-8-9;2*1-2;/h2-8H2,1H3;2*1H2,2H3;/q-1;;;+1.
What are the key properties of diethyl(octoxy)alumane?
diethyl(octoxy)alumane has a molecular weight of 214.33 g/mol, XLogP of 4.39, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(octoxy)alumane is sourced from PubChem (CID 71351019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).