decoxy(diethyl)alumane

C14H31AlO — CID 23362562

IUPACdecoxy(diethyl)alumane
SMILESCCCCCCCCCCO[Al](CC)CC
InChIInChI=1S/C10H21O.2C2H5.Al/c1-2-3-4-5-6-7-8-9-10-11;2*1-2;/h2-10H2,1H3;2*1H2,2H3;/q-1;;;+1
InChIKeyLWJJCYRORKQQCY-UHFFFAOYSA-N
MW242.38 g/mol
LogP5.18
Rot. Bonds12

About decoxy(diethyl)alumane

decoxy(diethyl)alumane (PubChem CID 23362562) has the molecular formula C14H31AlO and a molecular weight of 242.38 g/mol. Its IUPAC name is decoxy(diethyl)alumane.

Molecular Properties

Compound Namedecoxy(diethyl)alumane
PubChem CID23362562
Molecular FormulaC14H31AlO
Molecular Weight242.38 g/mol
Exact Mass242.22
IUPAC Namedecoxy(diethyl)alumane
SMILESCCCCCCCCCCO[Al](CC)CC
InChIInChI=1S/C10H21O.2C2H5.Al/c1-2-3-4-5-6-7-8-9-10-11;2*1-2;/h2-10H2,1H3;2*1H2,2H3;/q-1;;;+1
InChIKeyLWJJCYRORKQQCY-UHFFFAOYSA-N
XLogP5.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.38
LogP ≤ 55.18
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

diethyl(octoxy)alumane
CID 71351019
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
dodecylmercury;hydrate
CID 78070234
1-dodecoxyhexadecane
CID 22256973
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-octylperoxynonane
CID 151564626

Frequently Asked Questions

What is the IUPAC name of decoxy(diethyl)alumane?
The IUPAC name of decoxy(diethyl)alumane (CID 23362562) is decoxy(diethyl)alumane.
What is the SMILES notation for decoxy(diethyl)alumane?
The canonical SMILES for decoxy(diethyl)alumane is CCCCCCCCCCO[Al](CC)CC.
What is the InChIKey of decoxy(diethyl)alumane?
The InChIKey is LWJJCYRORKQQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O.2C2H5.Al/c1-2-3-4-5-6-7-8-9-10-11;2*1-2;/h2-10H2,1H3;2*1H2,2H3;/q-1;;;+1.
What are the key properties of decoxy(diethyl)alumane?
decoxy(diethyl)alumane has a molecular weight of 242.38 g/mol, XLogP of 5.18, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decoxy(diethyl)alumane is sourced from PubChem (CID 23362562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).