alumanyloxy-methyl-phenoxyalumane

C7H10Al2O2 — CID 154104509

IUPACalumanyloxy-methyl-phenoxyalumane
SMILESC[Al](O[AlH2])Oc1ccccc1
InChIInChI=1S/C6H6O.CH3.2Al.O.2H/c7-6-4-2-1-3-5-6;;;;;;/h1-5,7H;1H3;;;;;/q;;;+1;;;/p-1
InChIKeyUPEWYTXRNHUQJD-UHFFFAOYSA-M
MW180.12 g/mol
LogP0.75
Rot. Bonds3

About alumanyloxy-methyl-phenoxyalumane

alumanyloxy-methyl-phenoxyalumane (PubChem CID 154104509) has the molecular formula C7H10Al2O2 and a molecular weight of 180.12 g/mol. Its IUPAC name is alumanyloxy-methyl-phenoxyalumane.

Molecular Properties

Compound Namealumanyloxy-methyl-phenoxyalumane
PubChem CID154104509
Molecular FormulaC7H10Al2O2
Molecular Weight180.12 g/mol
Exact Mass180.03
IUPAC Namealumanyloxy-methyl-phenoxyalumane
SMILESC[Al](O[AlH2])Oc1ccccc1
InChIInChI=1S/C6H6O.CH3.2Al.O.2H/c7-6-4-2-1-3-5-6;;;;;;/h1-5,7H;1H3;;;;;/q;;;+1;;;/p-1
InChIKeyUPEWYTXRNHUQJD-UHFFFAOYSA-M
XLogP0.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.12
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

dimethoxy(phenoxy)alumane
CID 70465239
diphenoxy(propan-2-yl)alumane
CID 140617809
ditert-butyl(phenoxy)alumane
CID 16696692
CID 172685187
CID 172685187
anisole;trihydrofluoride
CID 174796385
anisole;hydrochloride
CID 158800007
azane;phenylperoxybenzene
CID 174490395
anisole;1,1'-biphenyl;naphthalene
CID 161250692
acetylene;anisole
CID 86033716
ethane;methyl diphenyl phosphite
CID 161074644
potassium;hydride;phenylperoxybenzene
CID 174274599
anisole;methanesulfonyl chloride
CID 162217178

Frequently Asked Questions

What is the IUPAC name of alumanyloxy-methyl-phenoxyalumane?
The IUPAC name of alumanyloxy-methyl-phenoxyalumane (CID 154104509) is alumanyloxy-methyl-phenoxyalumane.
What is the SMILES notation for alumanyloxy-methyl-phenoxyalumane?
The canonical SMILES for alumanyloxy-methyl-phenoxyalumane is C[Al](O[AlH2])Oc1ccccc1.
What is the InChIKey of alumanyloxy-methyl-phenoxyalumane?
The InChIKey is UPEWYTXRNHUQJD-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O.CH3.2Al.O.2H/c7-6-4-2-1-3-5-6;;;;;;/h1-5,7H;1H3;;;;;/q;;;+1;;;/p-1.
What are the key properties of alumanyloxy-methyl-phenoxyalumane?
alumanyloxy-methyl-phenoxyalumane has a molecular weight of 180.12 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for alumanyloxy-methyl-phenoxyalumane is sourced from PubChem (CID 154104509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).