(Z)-5-[tert-butyl(chloro)alumanyl]oxy-2,6-dimethyl-N-propan-2-ylhept-4-en-3-imine

C16H31AlClNO — CID 154587316

IUPAC(Z)-5-[tert-butyl(chloro)alumanyl]oxy-2,6-dimethyl-N-propan-2-ylhept-4-en-3-imine
SMILESCC(C)/N=C(/C=C(\O[Al](Cl)C(C)(C)C)C(C)C)C(C)C
InChIInChI=1S/C12H23NO.C4H9.Al.ClH/c1-8(2)11(13-10(5)6)7-12(14)9(3)4;1-4(2)3;;/h7-10,14H,1-6H3;1-3H3;;1H/q;;+2;/p-2/b12-7-,13-11-;;;
InChIKeyPFROOIIATDNPDV-VZJFWNHXSA-L
MW315.87 g/mol
LogP5.58
Rot. Bonds6

About (Z)-5-[tert-butyl(chloro)alumanyl]oxy-2,6-dimethyl-N-propan-2-ylhept-4-en-3-imine

(Z)-5-[tert-butyl(chloro)alumanyl]oxy-2,6-dimethyl-N-propan-2-ylhept-4-en-3-imine (PubChem CID 154587316) has the molecular formula C16H31AlClNO and a molecular weight of 315.87 g/mol. Its IUPAC name is (Z)-5-[tert-butyl(chloro)alumanyl]oxy-2,6-dimethyl-N-propan-2-ylhept-4-en-3-imine.

Molecular Properties

Compound Name(Z)-5-[tert-butyl(chloro)alumanyl]oxy-2,6-dimethyl-N-propan-2-ylhept-4-en-3-imine
PubChem CID154587316
Molecular FormulaC16H31AlClNO
Molecular Weight315.87 g/mol
Exact Mass315.19
IUPAC Name(Z)-5-[tert-butyl(chloro)alumanyl]oxy-2,6-dimethyl-N-propan-2-ylhept-4-en-3-imine
SMILESCC(C)/N=C(/C=C(\O[Al](Cl)C(C)(C)C)C(C)C)C(C)C
InChIInChI=1S/C12H23NO.C4H9.Al.ClH/c1-8(2)11(13-10(5)6)7-12(14)9(3)4;1-4(2)3;;/h7-10,14H,1-6H3;1-3H3;;1H/q;;+2;/p-2/b12-7-,13-11-;;;
InChIKeyPFROOIIATDNPDV-VZJFWNHXSA-L
XLogP5.58
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.87
LogP ≤ 55.58
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'}

Analyze (Z)-5-[tert-butyl(chloro)alumanyl]oxy-2,6-dimethyl-N-propan-2-ylhept-4-en-3-imine with MolForge

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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)-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
(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

Frequently Asked Questions

What is the IUPAC name of (Z)-5-[tert-butyl(chloro)alumanyl]oxy-2,6-dimethyl-N-propan-2-ylhept-4-en-3-imine?
The IUPAC name of (Z)-5-[tert-butyl(chloro)alumanyl]oxy-2,6-dimethyl-N-propan-2-ylhept-4-en-3-imine (CID 154587316) is (Z)-5-[tert-butyl(chloro)alumanyl]oxy-2,6-dimethyl-N-propan-2-ylhept-4-en-3-imine.
What is the SMILES notation for (Z)-5-[tert-butyl(chloro)alumanyl]oxy-2,6-dimethyl-N-propan-2-ylhept-4-en-3-imine?
The canonical SMILES for (Z)-5-[tert-butyl(chloro)alumanyl]oxy-2,6-dimethyl-N-propan-2-ylhept-4-en-3-imine is CC(C)/N=C(/C=C(\O[Al](Cl)C(C)(C)C)C(C)C)C(C)C.
What is the InChIKey of (Z)-5-[tert-butyl(chloro)alumanyl]oxy-2,6-dimethyl-N-propan-2-ylhept-4-en-3-imine?
The InChIKey is PFROOIIATDNPDV-VZJFWNHXSA-L. The full InChI is InChI=1S/C12H23NO.C4H9.Al.ClH/c1-8(2)11(13-10(5)6)7-12(14)9(3)4;1-4(2)3;;/h7-10,14H,1-6H3;1-3H3;;1H/q;;+2;/p-2/b12-7-,13-11-;;;.
What are the key properties of (Z)-5-[tert-butyl(chloro)alumanyl]oxy-2,6-dimethyl-N-propan-2-ylhept-4-en-3-imine?
(Z)-5-[tert-butyl(chloro)alumanyl]oxy-2,6-dimethyl-N-propan-2-ylhept-4-en-3-imine has a molecular weight of 315.87 g/mol, XLogP of 5.58, 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-2,6-dimethyl-N-propan-2-ylhept-4-en-3-imine is sourced from PubChem (CID 154587316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).