dichloro-[2-(2,6-dimethylphenoxy)ethyl]alumane

C10H13AlCl2O — CID 163214352

IUPACdichloro-[2-(2,6-dimethylphenoxy)ethyl]alumane
SMILESCc1cccc(C)c1OCC[Al](Cl)Cl
InChIInChI=1S/C10H13O.Al.2ClH/c1-4-11-10-8(2)6-5-7-9(10)3;;;/h5-7H,1,4H2,2-3H3;;2*1H/q;+2;;/p-2
InChIKeyAOAXDKOBQIFZBR-UHFFFAOYSA-L
MW247.10 g/mol
LogP3.65
Rot. Bonds4

About dichloro-[2-(2,6-dimethylphenoxy)ethyl]alumane

dichloro-[2-(2,6-dimethylphenoxy)ethyl]alumane (PubChem CID 163214352) has the molecular formula C10H13AlCl2O and a molecular weight of 247.10 g/mol. Its IUPAC name is dichloro-[2-(2,6-dimethylphenoxy)ethyl]alumane.

Molecular Properties

Compound Namedichloro-[2-(2,6-dimethylphenoxy)ethyl]alumane
PubChem CID163214352
Molecular FormulaC10H13AlCl2O
Molecular Weight247.10 g/mol
Exact Mass246.02
IUPAC Namedichloro-[2-(2,6-dimethylphenoxy)ethyl]alumane
SMILESCc1cccc(C)c1OCC[Al](Cl)Cl
InChIInChI=1S/C10H13O.Al.2ClH/c1-4-11-10-8(2)6-5-7-9(10)3;;;/h5-7H,1,4H2,2-3H3;;2*1H/q;+2;;/p-2
InChIKeyAOAXDKOBQIFZBR-UHFFFAOYSA-L
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.10
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethoxy-1,3-dimethylbenzene;trichloroalumane
CID 175224495
1,3-dimethyl-2-propoxybenzene
CID 579040
2-decoxy-1,3-dimethylbenzene
CID 83057478
6-(2,6-dimethylphenoxy)hexan-1-ol
CID 103801792
1,3-dimethyl-2-(2-phenoxyethoxy)benzene
CID 78906435
2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene
CID 83057558
2-(2,6-dimethylphenoxy)ethylhydrazine
CID 82125287
2-(2,6-dimethylphenoxy)ethyl-trimethylazanium bromide
CID 12633
ethane;2-ethoxy-1,3-dimethylbenzene
CID 91163284
6-(2,6-dimethylphenoxy)hexan-3-ol
CID 106802636
1-[2-(2,6-dimethylphenoxy)ethyl]pyrrole
CID 82078644
1,3-dimethyl-2-(4-phenylbutoxy)benzene
CID 114334885

Frequently Asked Questions

What is the IUPAC name of dichloro-[2-(2,6-dimethylphenoxy)ethyl]alumane?
The IUPAC name of dichloro-[2-(2,6-dimethylphenoxy)ethyl]alumane (CID 163214352) is dichloro-[2-(2,6-dimethylphenoxy)ethyl]alumane.
What is the SMILES notation for dichloro-[2-(2,6-dimethylphenoxy)ethyl]alumane?
The canonical SMILES for dichloro-[2-(2,6-dimethylphenoxy)ethyl]alumane is Cc1cccc(C)c1OCC[Al](Cl)Cl.
What is the InChIKey of dichloro-[2-(2,6-dimethylphenoxy)ethyl]alumane?
The InChIKey is AOAXDKOBQIFZBR-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H13O.Al.2ClH/c1-4-11-10-8(2)6-5-7-9(10)3;;;/h5-7H,1,4H2,2-3H3;;2*1H/q;+2;;/p-2.
What are the key properties of dichloro-[2-(2,6-dimethylphenoxy)ethyl]alumane?
dichloro-[2-(2,6-dimethylphenoxy)ethyl]alumane has a molecular weight of 247.10 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[2-(2,6-dimethylphenoxy)ethyl]alumane is sourced from PubChem (CID 163214352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).