diethyl(1-phenoxypropoxy)alumane

C13H21AlO2 — CID 139905359

IUPACdiethyl(1-phenoxypropoxy)alumane
SMILESCCC(Oc1ccccc1)O[Al](CC)CC
InChIInChI=1S/C9H11O2.2C2H5.Al/c1-2-9(10)11-8-6-4-3-5-7-8;2*1-2;/h3-7,9H,2H2,1H3;2*1H2,2H3;/q-1;;;+1
InChIKeyLDUMMLOCOXEHCF-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.85
Rot. Bonds7

About diethyl(1-phenoxypropoxy)alumane

diethyl(1-phenoxypropoxy)alumane (PubChem CID 139905359) has the molecular formula C13H21AlO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is diethyl(1-phenoxypropoxy)alumane.

Molecular Properties

Compound Namediethyl(1-phenoxypropoxy)alumane
PubChem CID139905359
Molecular FormulaC13H21AlO2
Molecular Weight236.29 g/mol
Exact Mass236.14
IUPAC Namediethyl(1-phenoxypropoxy)alumane
SMILESCCC(Oc1ccccc1)O[Al](CC)CC
InChIInChI=1S/C9H11O2.2C2H5.Al/c1-2-9(10)11-8-6-4-3-5-7-8;2*1-2;/h3-7,9H,2H2,1H3;2*1H2,2H3;/q-1;;;+1
InChIKeyLDUMMLOCOXEHCF-UHFFFAOYSA-N
XLogP3.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl(1-phenoxypropoxy)alumane?
The IUPAC name of diethyl(1-phenoxypropoxy)alumane (CID 139905359) is diethyl(1-phenoxypropoxy)alumane.
What is the SMILES notation for diethyl(1-phenoxypropoxy)alumane?
The canonical SMILES for diethyl(1-phenoxypropoxy)alumane is CCC(Oc1ccccc1)O[Al](CC)CC.
What is the InChIKey of diethyl(1-phenoxypropoxy)alumane?
The InChIKey is LDUMMLOCOXEHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O2.2C2H5.Al/c1-2-9(10)11-8-6-4-3-5-7-8;2*1-2;/h3-7,9H,2H2,1H3;2*1H2,2H3;/q-1;;;+1.
What are the key properties of diethyl(1-phenoxypropoxy)alumane?
diethyl(1-phenoxypropoxy)alumane has a molecular weight of 236.29 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(1-phenoxypropoxy)alumane is sourced from PubChem (CID 139905359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).