diethyl-[(Z)-hex-3-enoxy]alumane

C10H21AlO — CID 16684144

IUPACdiethyl-[(Z)-hex-3-enoxy]alumane
SMILESCC/C=C\CCO[Al](CC)CC
InChIInChI=1S/C6H11O.2C2H5.Al/c1-2-3-4-5-6-7;2*1-2;/h3-4H,2,5-6H2,1H3;2*1H2,2H3;/q-1;;;+1/b4-3-;;;
InChIKeyOUDHIMUQHBSXND-FGSKAQBVSA-N
MW184.26 g/mol
LogP3.39
Rot. Bonds7

About diethyl-[(Z)-hex-3-enoxy]alumane

diethyl-[(Z)-hex-3-enoxy]alumane (PubChem CID 16684144) has the molecular formula C10H21AlO and a molecular weight of 184.26 g/mol. Its IUPAC name is diethyl-[(Z)-hex-3-enoxy]alumane.

Molecular Properties

Compound Namediethyl-[(Z)-hex-3-enoxy]alumane
PubChem CID16684144
Molecular FormulaC10H21AlO
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Namediethyl-[(Z)-hex-3-enoxy]alumane
SMILESCC/C=C\CCO[Al](CC)CC
InChIInChI=1S/C6H11O.2C2H5.Al/c1-2-3-4-5-6-7;2*1-2;/h3-4H,2,5-6H2,1H3;2*1H2,2H3;/q-1;;;+1/b4-3-;;;
InChIKeyOUDHIMUQHBSXND-FGSKAQBVSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl-[(Z)-hex-3-enoxy]alumane?
The IUPAC name of diethyl-[(Z)-hex-3-enoxy]alumane (CID 16684144) is diethyl-[(Z)-hex-3-enoxy]alumane.
What is the SMILES notation for diethyl-[(Z)-hex-3-enoxy]alumane?
The canonical SMILES for diethyl-[(Z)-hex-3-enoxy]alumane is CC/C=C\CCO[Al](CC)CC.
What is the InChIKey of diethyl-[(Z)-hex-3-enoxy]alumane?
The InChIKey is OUDHIMUQHBSXND-FGSKAQBVSA-N. The full InChI is InChI=1S/C6H11O.2C2H5.Al/c1-2-3-4-5-6-7;2*1-2;/h3-4H,2,5-6H2,1H3;2*1H2,2H3;/q-1;;;+1/b4-3-;;;.
What are the key properties of diethyl-[(Z)-hex-3-enoxy]alumane?
diethyl-[(Z)-hex-3-enoxy]alumane has a molecular weight of 184.26 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[(Z)-hex-3-enoxy]alumane is sourced from PubChem (CID 16684144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).