diethyl(propan-2-yloxy)alumane

C7H17AlO — CID 16683969

IUPACdiethyl(propan-2-yloxy)alumane
SMILESCC[Al](CC)OC(C)C
InChIInChI=1S/C3H7O.2C2H5.Al/c1-3(2)4;2*1-2;/h3H,1-2H3;2*1H2,2H3;/q-1;;;+1
InChIKeyQYRVKEFNJZPMKU-UHFFFAOYSA-N
MW144.19 g/mol
LogP2.44
Rot. Bonds4

About diethyl(propan-2-yloxy)alumane

diethyl(propan-2-yloxy)alumane (PubChem CID 16683969) has the molecular formula C7H17AlO and a molecular weight of 144.19 g/mol. Its IUPAC name is diethyl(propan-2-yloxy)alumane.

Molecular Properties

Compound Namediethyl(propan-2-yloxy)alumane
PubChem CID16683969
Molecular FormulaC7H17AlO
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Namediethyl(propan-2-yloxy)alumane
SMILESCC[Al](CC)OC(C)C
InChIInChI=1S/C3H7O.2C2H5.Al/c1-3(2)4;2*1-2;/h3H,1-2H3;2*1H2,2H3;/q-1;;;+1
InChIKeyQYRVKEFNJZPMKU-UHFFFAOYSA-N
XLogP2.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of diethyl(propan-2-yloxy)alumane?
The IUPAC name of diethyl(propan-2-yloxy)alumane (CID 16683969) is diethyl(propan-2-yloxy)alumane.
What is the SMILES notation for diethyl(propan-2-yloxy)alumane?
The canonical SMILES for diethyl(propan-2-yloxy)alumane is CC[Al](CC)OC(C)C.
What is the InChIKey of diethyl(propan-2-yloxy)alumane?
The InChIKey is QYRVKEFNJZPMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O.2C2H5.Al/c1-3(2)4;2*1-2;/h3H,1-2H3;2*1H2,2H3;/q-1;;;+1.
What are the key properties of diethyl(propan-2-yloxy)alumane?
diethyl(propan-2-yloxy)alumane has a molecular weight of 144.19 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(propan-2-yloxy)alumane is sourced from PubChem (CID 16683969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).