ditert-butyl(phenoxy)alumane

C14H23AlO — CID 16696692

IUPACditert-butyl(phenoxy)alumane
SMILESCC(C)(C)[Al](Oc1ccccc1)C(C)(C)C
InChIInChI=1S/C6H6O.2C4H9.Al/c7-6-4-2-1-3-5-6;2*1-4(2)3;/h1-5,7H;2*1-3H3;/q;;;+1/p-1
InChIKeyKARCVXYGFYJLNQ-UHFFFAOYSA-M
MW234.32 g/mol
LogP4.66
Rot. Bonds2

About ditert-butyl(phenoxy)alumane

ditert-butyl(phenoxy)alumane (PubChem CID 16696692) has the molecular formula C14H23AlO and a molecular weight of 234.32 g/mol. Its IUPAC name is ditert-butyl(phenoxy)alumane.

Molecular Properties

Compound Nameditert-butyl(phenoxy)alumane
PubChem CID16696692
Molecular FormulaC14H23AlO
Molecular Weight234.32 g/mol
Exact Mass234.16
IUPAC Nameditert-butyl(phenoxy)alumane
SMILESCC(C)(C)[Al](Oc1ccccc1)C(C)(C)C
InChIInChI=1S/C6H6O.2C4H9.Al/c7-6-4-2-1-3-5-6;2*1-4(2)3;/h1-5,7H;2*1-3H3;/q;;;+1/p-1
InChIKeyKARCVXYGFYJLNQ-UHFFFAOYSA-M
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

dimethoxy(phenoxy)alumane
CID 70465239
diphenoxy(propan-2-yl)alumane
CID 140617809
alumanyloxy-methyl-phenoxyalumane
CID 154104509
phenoxybenzene;propane-2,2-diol
CID 174556232
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 159885563
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 161423888
2-iodopropan-2-yloxybenzene
CID 147876431
(2-methylpropan-2-yl)oxybenzene;propane
CID 169265117
triphenoxymethylphosphane
CID 18472089
1-chloro-1-phenoxyethanol
CID 66681023
(1,1,1-trifluoro-2-methylpropan-2-yl)oxybenzene
CID 91459981
[tert-butyl(phenyl)phosphoryl]oxybenzene
CID 91326926

Frequently Asked Questions

What is the IUPAC name of ditert-butyl(phenoxy)alumane?
The IUPAC name of ditert-butyl(phenoxy)alumane (CID 16696692) is ditert-butyl(phenoxy)alumane.
What is the SMILES notation for ditert-butyl(phenoxy)alumane?
The canonical SMILES for ditert-butyl(phenoxy)alumane is CC(C)(C)[Al](Oc1ccccc1)C(C)(C)C.
What is the InChIKey of ditert-butyl(phenoxy)alumane?
The InChIKey is KARCVXYGFYJLNQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O.2C4H9.Al/c7-6-4-2-1-3-5-6;2*1-4(2)3;/h1-5,7H;2*1-3H3;/q;;;+1/p-1.
What are the key properties of ditert-butyl(phenoxy)alumane?
ditert-butyl(phenoxy)alumane has a molecular weight of 234.32 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl(phenoxy)alumane is sourced from PubChem (CID 16696692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).