(4-tert-butylphenoxy)-ethylalumanylium chloride

C12H18AlClO — CID 21461038

IUPAC(4-tert-butylphenoxy)-ethylalumanylium chloride
SMILESCC[Al+]Oc1ccc(C(C)(C)C)cc1.[Cl-]
InChIInChI=1S/C10H14O.C2H5.Al.ClH/c1-10(2,3)8-4-6-9(11)7-5-8;1-2;;/h4-7,11H,1-3H3;1H2,2H3;;1H/q;;+2;/p-2
InChIKeyKNZKPCFIIWDSCJ-UHFFFAOYSA-L
MW240.71 g/mol
LogP0.42
Rot. Bonds3

About (4-tert-butylphenoxy)-ethylalumanylium chloride

(4-tert-butylphenoxy)-ethylalumanylium chloride (PubChem CID 21461038) has the molecular formula C12H18AlClO and a molecular weight of 240.71 g/mol. Its IUPAC name is (4-tert-butylphenoxy)-ethylalumanylium chloride.

Molecular Properties

Compound Name(4-tert-butylphenoxy)-ethylalumanylium chloride
PubChem CID21461038
Molecular FormulaC12H18AlClO
Molecular Weight240.71 g/mol
Exact Mass240.09
IUPAC Name(4-tert-butylphenoxy)-ethylalumanylium chloride
SMILESCC[Al+]Oc1ccc(C(C)(C)C)cc1.[Cl-]
InChIInChI=1S/C10H14O.C2H5.Al.ClH/c1-10(2,3)8-4-6-9(11)7-5-8;1-2;;/h4-7,11H,1-3H3;1H2,2H3;;1H/q;;+2;/p-2
InChIKeyKNZKPCFIIWDSCJ-UHFFFAOYSA-L
XLogP0.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.71
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-tert-butylphenoxy)-methylalumanylium
CID 21461042
1-tert-butyl-4-(4-ethylcyclohexyl)oxybenzene
CID 64764201
(2R)-1-(4-tert-butylphenoxy)butan-2-amine
CID 94338350
bis(4-tert-butylphenyl) propanedioate
CID 56991121
(4-tert-butylphenyl) didodecyl phosphite
CID 59608946
(4-tert-butylphenyl)sulfanium chloride
CID 172830527
2-(4-tert-butylphenoxy)-3-nonylpyrazine
CID 20979308
3-(4-tert-butylphenyl)pentan-3-amine
CID 60986945
1-[2-(bromomethyl)butoxy]-4-tert-butylbenzene
CID 64995324
1-(5-bromopentoxy)-4-tert-butylbenzene
CID 5186697
2-(4-tert-butylphenoxy)ethyl-triethylazanium
CID 3026407
1-tert-butyl-4-undecylbenzene
CID 162402478

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenoxy)-ethylalumanylium chloride?
The IUPAC name of (4-tert-butylphenoxy)-ethylalumanylium chloride (CID 21461038) is (4-tert-butylphenoxy)-ethylalumanylium chloride.
What is the SMILES notation for (4-tert-butylphenoxy)-ethylalumanylium chloride?
The canonical SMILES for (4-tert-butylphenoxy)-ethylalumanylium chloride is CC[Al+]Oc1ccc(C(C)(C)C)cc1.[Cl-].
What is the InChIKey of (4-tert-butylphenoxy)-ethylalumanylium chloride?
The InChIKey is KNZKPCFIIWDSCJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H14O.C2H5.Al.ClH/c1-10(2,3)8-4-6-9(11)7-5-8;1-2;;/h4-7,11H,1-3H3;1H2,2H3;;1H/q;;+2;/p-2.
What are the key properties of (4-tert-butylphenoxy)-ethylalumanylium chloride?
(4-tert-butylphenoxy)-ethylalumanylium chloride has a molecular weight of 240.71 g/mol, XLogP of 0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenoxy)-ethylalumanylium chloride is sourced from PubChem (CID 21461038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).