ethyl-di(propan-2-yloxy)alumane

C8H19AlO2 — CID 16702500

IUPACethyl-di(propan-2-yloxy)alumane
SMILESCC[Al](OC(C)C)OC(C)C
InChIInChI=1S/2C3H7O.C2H5.Al/c2*1-3(2)4;1-2;/h2*3H,1-2H3;1H2,2H3;/q2*-1;;+2
InChIKeyXPURMEXEEOGCNE-UHFFFAOYSA-N
MW174.22 g/mol
LogP2.34
Rot. Bonds5

About ethyl-di(propan-2-yloxy)alumane

ethyl-di(propan-2-yloxy)alumane (PubChem CID 16702500) has the molecular formula C8H19AlO2 and a molecular weight of 174.22 g/mol. Its IUPAC name is ethyl-di(propan-2-yloxy)alumane.

Molecular Properties

Compound Nameethyl-di(propan-2-yloxy)alumane
PubChem CID16702500
Molecular FormulaC8H19AlO2
Molecular Weight174.22 g/mol
Exact Mass174.12
IUPAC Nameethyl-di(propan-2-yloxy)alumane
SMILESCC[Al](OC(C)C)OC(C)C
InChIInChI=1S/2C3H7O.C2H5.Al/c2*1-3(2)4;1-2;/h2*3H,1-2H3;1H2,2H3;/q2*-1;;+2
InChIKeyXPURMEXEEOGCNE-UHFFFAOYSA-N
XLogP2.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl-di(propan-2-yloxy)alumane?
The IUPAC name of ethyl-di(propan-2-yloxy)alumane (CID 16702500) is ethyl-di(propan-2-yloxy)alumane.
What is the SMILES notation for ethyl-di(propan-2-yloxy)alumane?
The canonical SMILES for ethyl-di(propan-2-yloxy)alumane is CC[Al](OC(C)C)OC(C)C.
What is the InChIKey of ethyl-di(propan-2-yloxy)alumane?
The InChIKey is XPURMEXEEOGCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7O.C2H5.Al/c2*1-3(2)4;1-2;/h2*3H,1-2H3;1H2,2H3;/q2*-1;;+2.
What are the key properties of ethyl-di(propan-2-yloxy)alumane?
ethyl-di(propan-2-yloxy)alumane has a molecular weight of 174.22 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-di(propan-2-yloxy)alumane is sourced from PubChem (CID 16702500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).