(Z)-5-diethylalumanyloxy-N,2,6-trimethylhept-4-en-3-imine

C14H28AlNO — CID 154587340

IUPAC(Z)-5-diethylalumanyloxy-N,2,6-trimethylhept-4-en-3-imine
SMILESCC[Al](CC)O/C(=C\C(=N\C)C(C)C)C(C)C
InChIInChI=1S/C10H19NO.2C2H5.Al/c1-7(2)9(11-5)6-10(12)8(3)4;2*1-2;/h6-8,12H,1-5H3;2*1H2,2H3;/q;;;+1/p-1/b10-6-,11-9-;;;
InChIKeyXTUIRBUOJMAXFV-RLVVFDNCSA-M
MW253.37 g/mol
LogP4.30
Rot. Bonds7

About (Z)-5-diethylalumanyloxy-N,2,6-trimethylhept-4-en-3-imine

(Z)-5-diethylalumanyloxy-N,2,6-trimethylhept-4-en-3-imine (PubChem CID 154587340) has the molecular formula C14H28AlNO and a molecular weight of 253.37 g/mol. Its IUPAC name is (Z)-5-diethylalumanyloxy-N,2,6-trimethylhept-4-en-3-imine.

Molecular Properties

Compound Name(Z)-5-diethylalumanyloxy-N,2,6-trimethylhept-4-en-3-imine
PubChem CID154587340
Molecular FormulaC14H28AlNO
Molecular Weight253.37 g/mol
Exact Mass253.20
IUPAC Name(Z)-5-diethylalumanyloxy-N,2,6-trimethylhept-4-en-3-imine
SMILESCC[Al](CC)O/C(=C\C(=N\C)C(C)C)C(C)C
InChIInChI=1S/C10H19NO.2C2H5.Al/c1-7(2)9(11-5)6-10(12)8(3)4;2*1-2;/h6-8,12H,1-5H3;2*1H2,2H3;/q;;;+1/p-1/b10-6-,11-9-;;;
InChIKeyXTUIRBUOJMAXFV-RLVVFDNCSA-M
XLogP4.30
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 54.30
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-diethylalumanyloxy-N-ethylhept-4-en-3-imine
CID 154587320
(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

Frequently Asked Questions

What is the IUPAC name of (Z)-5-diethylalumanyloxy-N,2,6-trimethylhept-4-en-3-imine?
The IUPAC name of (Z)-5-diethylalumanyloxy-N,2,6-trimethylhept-4-en-3-imine (CID 154587340) is (Z)-5-diethylalumanyloxy-N,2,6-trimethylhept-4-en-3-imine.
What is the SMILES notation for (Z)-5-diethylalumanyloxy-N,2,6-trimethylhept-4-en-3-imine?
The canonical SMILES for (Z)-5-diethylalumanyloxy-N,2,6-trimethylhept-4-en-3-imine is CC[Al](CC)O/C(=C\C(=N\C)C(C)C)C(C)C.
What is the InChIKey of (Z)-5-diethylalumanyloxy-N,2,6-trimethylhept-4-en-3-imine?
The InChIKey is XTUIRBUOJMAXFV-RLVVFDNCSA-M. The full InChI is InChI=1S/C10H19NO.2C2H5.Al/c1-7(2)9(11-5)6-10(12)8(3)4;2*1-2;/h6-8,12H,1-5H3;2*1H2,2H3;/q;;;+1/p-1/b10-6-,11-9-;;;.
What are the key properties of (Z)-5-diethylalumanyloxy-N,2,6-trimethylhept-4-en-3-imine?
(Z)-5-diethylalumanyloxy-N,2,6-trimethylhept-4-en-3-imine has a molecular weight of 253.37 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-diethylalumanyloxy-N,2,6-trimethylhept-4-en-3-imine is sourced from PubChem (CID 154587340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).