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

C10H19AlClNO — CID 154587335

IUPAC(Z)-4-[tert-butyl(chloro)alumanyl]oxy-N-methylpent-3-en-2-imine
SMILESC/N=C(C)/C=C(/C)O[Al](Cl)C(C)(C)C
InChIInChI=1S/C6H11NO.C4H9.Al.ClH/c1-5(7-3)4-6(2)8;1-4(2)3;;/h4,8H,1-3H3;1-3H3;;1H/q;;+2;/p-2/b6-4-,7-5+;;;
InChIKeyFLTDRYGPKXVZIO-FGPHPNAOSA-L
MW231.70 g/mol
LogP3.52
Rot. Bonds3

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

(Z)-4-[tert-butyl(chloro)alumanyl]oxy-N-methylpent-3-en-2-imine (PubChem CID 154587335) has the molecular formula C10H19AlClNO and a molecular weight of 231.70 g/mol. Its IUPAC name is (Z)-4-[tert-butyl(chloro)alumanyl]oxy-N-methylpent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-4-[tert-butyl(chloro)alumanyl]oxy-N-methylpent-3-en-2-imine
PubChem CID154587335
Molecular FormulaC10H19AlClNO
Molecular Weight231.70 g/mol
Exact Mass231.10
IUPAC Name(Z)-4-[tert-butyl(chloro)alumanyl]oxy-N-methylpent-3-en-2-imine
SMILESC/N=C(C)/C=C(/C)O[Al](Cl)C(C)(C)C
InChIInChI=1S/C6H11NO.C4H9.Al.ClH/c1-5(7-3)4-6(2)8;1-4(2)3;;/h4,8H,1-3H3;1-3H3;;1H/q;;+2;/p-2/b6-4-,7-5+;;;
InChIKeyFLTDRYGPKXVZIO-FGPHPNAOSA-L
XLogP3.52
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 53.52
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-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-dimethylalumanyloxy-N-ethylhept-4-en-3-imine
CID 154587332
(Z)-5-dimethylalumanyloxy-N-propan-2-ylhept-4-en-3-imine
CID 154587333
(Z)-5-[tert-butyl(chloro)alumanyl]oxy-N-ethyl-2,6-dimethylhept-4-en-3-imine
CID 154587338
(Z)-5-diethylalumanyloxy-N,2,6-trimethylhept-4-en-3-imine
CID 154587340
(Z)-4-[tert-butyl(chloro)alumanyl]oxy-N-propan-2-ylpent-3-en-2-imine
CID 154587341
(Z)-5-[tert-butyl(chloro)alumanyl]oxy-N-propan-2-ylhept-4-en-3-imine
CID 154587342
(Z)-4-diethylalumanyloxy-N-methylpent-3-en-2-imine
CID 154587343

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[tert-butyl(chloro)alumanyl]oxy-N-methylpent-3-en-2-imine?
The IUPAC name of (Z)-4-[tert-butyl(chloro)alumanyl]oxy-N-methylpent-3-en-2-imine (CID 154587335) is (Z)-4-[tert-butyl(chloro)alumanyl]oxy-N-methylpent-3-en-2-imine.
What is the SMILES notation for (Z)-4-[tert-butyl(chloro)alumanyl]oxy-N-methylpent-3-en-2-imine?
The canonical SMILES for (Z)-4-[tert-butyl(chloro)alumanyl]oxy-N-methylpent-3-en-2-imine is C/N=C(C)/C=C(/C)O[Al](Cl)C(C)(C)C.
What is the InChIKey of (Z)-4-[tert-butyl(chloro)alumanyl]oxy-N-methylpent-3-en-2-imine?
The InChIKey is FLTDRYGPKXVZIO-FGPHPNAOSA-L. The full InChI is InChI=1S/C6H11NO.C4H9.Al.ClH/c1-5(7-3)4-6(2)8;1-4(2)3;;/h4,8H,1-3H3;1-3H3;;1H/q;;+2;/p-2/b6-4-,7-5+;;;.
What are the key properties of (Z)-4-[tert-butyl(chloro)alumanyl]oxy-N-methylpent-3-en-2-imine?
(Z)-4-[tert-butyl(chloro)alumanyl]oxy-N-methylpent-3-en-2-imine has a molecular weight of 231.70 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[tert-butyl(chloro)alumanyl]oxy-N-methylpent-3-en-2-imine is sourced from PubChem (CID 154587335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).