bis[2,6-di(propan-2-yl)phenoxy]-methylalumane

C25H37AlO2 — CID 16715532

IUPACbis[2,6-di(propan-2-yl)phenoxy]-methylalumane
SMILESCC(C)c1cccc(C(C)C)c1O[Al](C)Oc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/2C12H18O.CH3.Al/c2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;;/h2*5-9,13H,1-4H3;1H3;/q;;;+2/p-2
InChIKeyRAVKJXQIIYOLQP-UHFFFAOYSA-L
MW396.55 g/mol
LogP7.76
Rot. Bonds8

About bis[2,6-di(propan-2-yl)phenoxy]-methylalumane

bis[2,6-di(propan-2-yl)phenoxy]-methylalumane (PubChem CID 16715532) has the molecular formula C25H37AlO2 and a molecular weight of 396.55 g/mol. Its IUPAC name is bis[2,6-di(propan-2-yl)phenoxy]-methylalumane.

Molecular Properties

Compound Namebis[2,6-di(propan-2-yl)phenoxy]-methylalumane
PubChem CID16715532
Molecular FormulaC25H37AlO2
Molecular Weight396.55 g/mol
Exact Mass396.26
IUPAC Namebis[2,6-di(propan-2-yl)phenoxy]-methylalumane
SMILESCC(C)c1cccc(C(C)C)c1O[Al](C)Oc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/2C12H18O.CH3.Al/c2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;;/h2*5-9,13H,1-4H3;1H3;/q;;;+2/p-2
InChIKeyRAVKJXQIIYOLQP-UHFFFAOYSA-L
XLogP7.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.55
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1,3-di(propan-2-yl)benzene
CID 20769463
[2,6-di(propan-2-yl)phenyl] formate
CID 54331720
1,3-di(propan-2-yl)-2-propoxybenzene
CID 59277560
1-bromo-2-methoxy-3-propan-2-ylbenzene
CID 11333670
1-[2,6-di(propan-2-yl)phenoxy]-N,N-dimethylmethanamine
CID 155456372
1,3-di(propan-2-yl)-2-propan-2-yloxybenzene;ethoxyethane
CID 67998176
1-[2,6-di(propan-2-yl)phenoxy]propan-2-ol
CID 19774059
2-dichlorophosphoryloxy-1,3-di(propan-2-yl)benzene
CID 14943982
1-ethoxy-5-propan-2-ylnaphthalene
CID 176668059
2-cyclopenta-2,4-dien-1-yloxy-1,3-di(propan-2-yl)benzene
CID 175449132
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
1-propan-2-ylnaphthalene;sulfuric acid
CID 70424781

Frequently Asked Questions

What is the IUPAC name of bis[2,6-di(propan-2-yl)phenoxy]-methylalumane?
The IUPAC name of bis[2,6-di(propan-2-yl)phenoxy]-methylalumane (CID 16715532) is bis[2,6-di(propan-2-yl)phenoxy]-methylalumane.
What is the SMILES notation for bis[2,6-di(propan-2-yl)phenoxy]-methylalumane?
The canonical SMILES for bis[2,6-di(propan-2-yl)phenoxy]-methylalumane is CC(C)c1cccc(C(C)C)c1O[Al](C)Oc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of bis[2,6-di(propan-2-yl)phenoxy]-methylalumane?
The InChIKey is RAVKJXQIIYOLQP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H18O.CH3.Al/c2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;;/h2*5-9,13H,1-4H3;1H3;/q;;;+2/p-2.
What are the key properties of bis[2,6-di(propan-2-yl)phenoxy]-methylalumane?
bis[2,6-di(propan-2-yl)phenoxy]-methylalumane has a molecular weight of 396.55 g/mol, XLogP of 7.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2,6-di(propan-2-yl)phenoxy]-methylalumane is sourced from PubChem (CID 16715532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).