(Z)-5-diethylalumanyloxy-N-ethylhept-4-en-3-imine

C13H26AlNO — CID 154587320

IUPAC(Z)-5-diethylalumanyloxy-N-ethylhept-4-en-3-imine
SMILESCC/N=C(/C=C(/CC)O[Al](CC)CC)CC
InChIInChI=1S/C9H17NO.2C2H5.Al/c1-4-8(10-6-3)7-9(11)5-2;2*1-2;/h7,11H,4-6H2,1-3H3;2*1H2,2H3;/q;;;+1/p-1/b9-7-,10-8+;;;
InChIKeyNQZRJGZNWSHUJN-HDKNUGJDSA-M
MW239.34 g/mol
LogP4.20
Rot. Bonds8

About (Z)-5-diethylalumanyloxy-N-ethylhept-4-en-3-imine

(Z)-5-diethylalumanyloxy-N-ethylhept-4-en-3-imine (PubChem CID 154587320) has the molecular formula C13H26AlNO and a molecular weight of 239.34 g/mol. Its IUPAC name is (Z)-5-diethylalumanyloxy-N-ethylhept-4-en-3-imine.

Molecular Properties

Compound Name(Z)-5-diethylalumanyloxy-N-ethylhept-4-en-3-imine
PubChem CID154587320
Molecular FormulaC13H26AlNO
Molecular Weight239.34 g/mol
Exact Mass239.18
IUPAC Name(Z)-5-diethylalumanyloxy-N-ethylhept-4-en-3-imine
SMILESCC/N=C(/C=C(/CC)O[Al](CC)CC)CC
InChIInChI=1S/C9H17NO.2C2H5.Al/c1-4-8(10-6-3)7-9(11)5-2;2*1-2;/h7,11H,4-6H2,1-3H3;2*1H2,2H3;/q;;;+1/p-1/b9-7-,10-8+;;;
InChIKeyNQZRJGZNWSHUJN-HDKNUGJDSA-M
XLogP4.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 54.20
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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Related Compounds

(Z)-5-di(propan-2-yl)alumanyloxy-2,6-dimethyl-N-propan-2-ylhept-4-en-3-imine
CID 154587305
(Z)-5-dimethylalumanyloxy-N,2,6-trimethylhept-4-en-3-imine
CID 154587307
(Z)-4-dimethylalumanyloxy-N-methylpent-3-en-2-imine
CID 154587309
(Z)-4-di(propan-2-yl)alumanyloxy-N-methylpent-3-en-2-imine
CID 154587315
(Z)-5-[tert-butyl(chloro)alumanyl]oxy-2,6-dimethyl-N-propan-2-ylhept-4-en-3-imine
CID 154587316
(Z)-5-di(propan-2-yl)alumanyloxy-N-propan-2-ylhept-4-en-3-imine
CID 154587323
(Z)-5-dimethylalumanyloxy-N-ethylhept-4-en-3-imine
CID 154587332
(Z)-5-dimethylalumanyloxy-N-propan-2-ylhept-4-en-3-imine
CID 154587333
(Z)-4-[tert-butyl(chloro)alumanyl]oxy-N-methylpent-3-en-2-imine
CID 154587335
(Z)-5-[tert-butyl(chloro)alumanyl]oxy-N-ethyl-2,6-dimethylhept-4-en-3-imine
CID 154587338
(Z)-5-dimethylalumanyloxy-2,6-dimethyl-N-propan-2-ylhept-4-en-3-imine
CID 154587339
(Z)-5-diethylalumanyloxy-N,2,6-trimethylhept-4-en-3-imine
CID 154587340

Frequently Asked Questions

What is the IUPAC name of (Z)-5-diethylalumanyloxy-N-ethylhept-4-en-3-imine?
The IUPAC name of (Z)-5-diethylalumanyloxy-N-ethylhept-4-en-3-imine (CID 154587320) is (Z)-5-diethylalumanyloxy-N-ethylhept-4-en-3-imine.
What is the SMILES notation for (Z)-5-diethylalumanyloxy-N-ethylhept-4-en-3-imine?
The canonical SMILES for (Z)-5-diethylalumanyloxy-N-ethylhept-4-en-3-imine is CC/N=C(/C=C(/CC)O[Al](CC)CC)CC.
What is the InChIKey of (Z)-5-diethylalumanyloxy-N-ethylhept-4-en-3-imine?
The InChIKey is NQZRJGZNWSHUJN-HDKNUGJDSA-M. The full InChI is InChI=1S/C9H17NO.2C2H5.Al/c1-4-8(10-6-3)7-9(11)5-2;2*1-2;/h7,11H,4-6H2,1-3H3;2*1H2,2H3;/q;;;+1/p-1/b9-7-,10-8+;;;.
What are the key properties of (Z)-5-diethylalumanyloxy-N-ethylhept-4-en-3-imine?
(Z)-5-diethylalumanyloxy-N-ethylhept-4-en-3-imine has a molecular weight of 239.34 g/mol, XLogP of 4.20, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-diethylalumanyloxy-N-ethylhept-4-en-3-imine is sourced from PubChem (CID 154587320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).