alumanyloxy(methyl)alumane;2,6-ditert-butylphenol

C15H28Al2O2 — CID 173269586

IUPACalumanyloxy(methyl)alumane;2,6-ditert-butylphenol
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1O.C[AlH]O[AlH2]
InChIInChI=1S/C14H22O.CH3.2Al.O.3H/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;;;;;;;/h7-9,15H,1-6H3;1H3;;;;;;
InChIKeyDFTKFWAMHGLSFN-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.94
Rot. Bonds1

About alumanyloxy(methyl)alumane;2,6-ditert-butylphenol

alumanyloxy(methyl)alumane;2,6-ditert-butylphenol (PubChem CID 173269586) has the molecular formula C15H28Al2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is alumanyloxy(methyl)alumane;2,6-ditert-butylphenol.

Molecular Properties

Compound Namealumanyloxy(methyl)alumane;2,6-ditert-butylphenol
PubChem CID173269586
Molecular FormulaC15H28Al2O2
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Namealumanyloxy(methyl)alumane;2,6-ditert-butylphenol
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1O.C[AlH]O[AlH2]
InChIInChI=1S/C14H22O.CH3.2Al.O.3H/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;;;;;;;/h7-9,15H,1-6H3;1H3;;;;;;
InChIKeyDFTKFWAMHGLSFN-UHFFFAOYSA-N
XLogP2.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-ditert-butylphenol;hydrazine;hydrate
CID 174824895
2-tert-butyl-6-methylphenol
CID 16678
2,6-ditert-butylphenol;N-ethylethanamine
CID 71675640
CID 11225844
CID 11225844
2-tert-butyl-6-methylphenol;methane
CID 159779150
bis(2,6-ditert-butylphenol);methanidylbenzene;zirconium(2+)
CID 134902480
2,6-ditert-butylphenol;methyl propanoate
CID 174866169
2,6-bis(2-methylpentan-2-yl)phenol
CID 19809768
2,6-ditert-butylphenol;2-methylpropanedioic acid
CID 158945163
2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-phenyl-phosphanylmethyl]phenol
CID 23082358
2,6-ditert-butyl-4-(2,6-ditert-butylphenoxy)phenol
CID 22163155
2-tert-butyl-6-ditert-butylphosphanylphenol
CID 138583672

Frequently Asked Questions

What is the IUPAC name of alumanyloxy(methyl)alumane;2,6-ditert-butylphenol?
The IUPAC name of alumanyloxy(methyl)alumane;2,6-ditert-butylphenol (CID 173269586) is alumanyloxy(methyl)alumane;2,6-ditert-butylphenol.
What is the SMILES notation for alumanyloxy(methyl)alumane;2,6-ditert-butylphenol?
The canonical SMILES for alumanyloxy(methyl)alumane;2,6-ditert-butylphenol is CC(C)(C)c1cccc(C(C)(C)C)c1O.C[AlH]O[AlH2].
What is the InChIKey of alumanyloxy(methyl)alumane;2,6-ditert-butylphenol?
The InChIKey is DFTKFWAMHGLSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O.CH3.2Al.O.3H/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;;;;;;;/h7-9,15H,1-6H3;1H3;;;;;;.
What are the key properties of alumanyloxy(methyl)alumane;2,6-ditert-butylphenol?
alumanyloxy(methyl)alumane;2,6-ditert-butylphenol has a molecular weight of 294.35 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for alumanyloxy(methyl)alumane;2,6-ditert-butylphenol is sourced from PubChem (CID 173269586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).