(Z)-4-diethylalumanyloxy-N-propan-2-ylpent-3-en-2-imine

C12H24AlNO — CID 154587360

IUPAC(Z)-4-diethylalumanyloxy-N-propan-2-ylpent-3-en-2-imine
SMILESCC[Al](CC)O/C(C)=C\C(C)=N\C(C)C
InChIInChI=1S/C8H15NO.2C2H5.Al/c1-6(2)9-7(3)5-8(4)10;2*1-2;/h5-6,10H,1-4H3;2*1H2,2H3;/q;;;+1/p-1/b8-5-,9-7+;;;
InChIKeyCULJHPLOHIMUGU-URYARSFFSA-M
MW225.31 g/mol
LogP3.81
Rot. Bonds6

About (Z)-4-diethylalumanyloxy-N-propan-2-ylpent-3-en-2-imine

(Z)-4-diethylalumanyloxy-N-propan-2-ylpent-3-en-2-imine (PubChem CID 154587360) has the molecular formula C12H24AlNO and a molecular weight of 225.31 g/mol. Its IUPAC name is (Z)-4-diethylalumanyloxy-N-propan-2-ylpent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-4-diethylalumanyloxy-N-propan-2-ylpent-3-en-2-imine
PubChem CID154587360
Molecular FormulaC12H24AlNO
Molecular Weight225.31 g/mol
Exact Mass225.17
IUPAC Name(Z)-4-diethylalumanyloxy-N-propan-2-ylpent-3-en-2-imine
SMILESCC[Al](CC)O/C(C)=C\C(C)=N\C(C)C
InChIInChI=1S/C8H15NO.2C2H5.Al/c1-6(2)9-7(3)5-8(4)10;2*1-2;/h5-6,10H,1-4H3;2*1H2,2H3;/q;;;+1/p-1/b8-5-,9-7+;;;
InChIKeyCULJHPLOHIMUGU-URYARSFFSA-M
XLogP3.81
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-diethylalumanyloxy-N-propan-2-ylpent-3-en-2-imine?
The IUPAC name of (Z)-4-diethylalumanyloxy-N-propan-2-ylpent-3-en-2-imine (CID 154587360) is (Z)-4-diethylalumanyloxy-N-propan-2-ylpent-3-en-2-imine.
What is the SMILES notation for (Z)-4-diethylalumanyloxy-N-propan-2-ylpent-3-en-2-imine?
The canonical SMILES for (Z)-4-diethylalumanyloxy-N-propan-2-ylpent-3-en-2-imine is CC[Al](CC)O/C(C)=C\C(C)=N\C(C)C.
What is the InChIKey of (Z)-4-diethylalumanyloxy-N-propan-2-ylpent-3-en-2-imine?
The InChIKey is CULJHPLOHIMUGU-URYARSFFSA-M. The full InChI is InChI=1S/C8H15NO.2C2H5.Al/c1-6(2)9-7(3)5-8(4)10;2*1-2;/h5-6,10H,1-4H3;2*1H2,2H3;/q;;;+1/p-1/b8-5-,9-7+;;;.
What are the key properties of (Z)-4-diethylalumanyloxy-N-propan-2-ylpent-3-en-2-imine?
(Z)-4-diethylalumanyloxy-N-propan-2-ylpent-3-en-2-imine has a molecular weight of 225.31 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-diethylalumanyloxy-N-propan-2-ylpent-3-en-2-imine is sourced from PubChem (CID 154587360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).