(Z)-5-[tert-butyl(chloro)alumanyl]oxy-N-propan-2-ylhept-4-en-3-imine

C14H27AlClNO — CID 154587342

IUPAC(Z)-5-[tert-butyl(chloro)alumanyl]oxy-N-propan-2-ylhept-4-en-3-imine
SMILESCC/C(=C/C(CC)=N/C(C)C)O[Al](Cl)C(C)(C)C
InChIInChI=1S/C10H19NO.C4H9.Al.ClH/c1-5-9(11-8(3)4)7-10(12)6-2;1-4(2)3;;/h7-8,12H,5-6H2,1-4H3;1-3H3;;1H/q;;+2;/p-2/b10-7-,11-9+;;;
InChIKeyIWEIQDYSFOGXEV-GNQYZEBUSA-L
MW287.81 g/mol
LogP5.08
Rot. Bonds6

About (Z)-5-[tert-butyl(chloro)alumanyl]oxy-N-propan-2-ylhept-4-en-3-imine

(Z)-5-[tert-butyl(chloro)alumanyl]oxy-N-propan-2-ylhept-4-en-3-imine (PubChem CID 154587342) has the molecular formula C14H27AlClNO and a molecular weight of 287.81 g/mol. Its IUPAC name is (Z)-5-[tert-butyl(chloro)alumanyl]oxy-N-propan-2-ylhept-4-en-3-imine.

Molecular Properties

Compound Name(Z)-5-[tert-butyl(chloro)alumanyl]oxy-N-propan-2-ylhept-4-en-3-imine
PubChem CID154587342
Molecular FormulaC14H27AlClNO
Molecular Weight287.81 g/mol
Exact Mass287.16
IUPAC Name(Z)-5-[tert-butyl(chloro)alumanyl]oxy-N-propan-2-ylhept-4-en-3-imine
SMILESCC/C(=C/C(CC)=N/C(C)C)O[Al](Cl)C(C)(C)C
InChIInChI=1S/C10H19NO.C4H9.Al.ClH/c1-5-9(11-8(3)4)7-10(12)6-2;1-4(2)3;;/h7-8,12H,5-6H2,1-4H3;1-3H3;;1H/q;;+2;/p-2/b10-7-,11-9+;;;
InChIKeyIWEIQDYSFOGXEV-GNQYZEBUSA-L
XLogP5.08
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.81
LogP ≤ 55.08
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-[tert-butyl(chloro)alumanyl]oxy-N-propan-2-ylhept-4-en-3-imine?
The IUPAC name of (Z)-5-[tert-butyl(chloro)alumanyl]oxy-N-propan-2-ylhept-4-en-3-imine (CID 154587342) is (Z)-5-[tert-butyl(chloro)alumanyl]oxy-N-propan-2-ylhept-4-en-3-imine.
What is the SMILES notation for (Z)-5-[tert-butyl(chloro)alumanyl]oxy-N-propan-2-ylhept-4-en-3-imine?
The canonical SMILES for (Z)-5-[tert-butyl(chloro)alumanyl]oxy-N-propan-2-ylhept-4-en-3-imine is CC/C(=C/C(CC)=N/C(C)C)O[Al](Cl)C(C)(C)C.
What is the InChIKey of (Z)-5-[tert-butyl(chloro)alumanyl]oxy-N-propan-2-ylhept-4-en-3-imine?
The InChIKey is IWEIQDYSFOGXEV-GNQYZEBUSA-L. The full InChI is InChI=1S/C10H19NO.C4H9.Al.ClH/c1-5-9(11-8(3)4)7-10(12)6-2;1-4(2)3;;/h7-8,12H,5-6H2,1-4H3;1-3H3;;1H/q;;+2;/p-2/b10-7-,11-9+;;;.
What are the key properties of (Z)-5-[tert-butyl(chloro)alumanyl]oxy-N-propan-2-ylhept-4-en-3-imine?
(Z)-5-[tert-butyl(chloro)alumanyl]oxy-N-propan-2-ylhept-4-en-3-imine has a molecular weight of 287.81 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-[tert-butyl(chloro)alumanyl]oxy-N-propan-2-ylhept-4-en-3-imine is sourced from PubChem (CID 154587342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).