dimethyl-[2-(2,3,4,5,6-pentamethylphenyl)propan-2-yloxy]alumane

C32H54Al2O2 — CID 134906131

IUPACdimethyl-[2-(2,3,4,5,6-pentamethylphenyl)propan-2-yloxy]alumane
SMILESCc1c(C)c(C)c(C(C)(C)O[Al](C)C)c(C)c1C.Cc1c(C)c(C)c(C(C)(C)O[Al](C)C)c(C)c1C
InChIInChI=1S/2C14H21O.4CH3.2Al/c2*1-8-9(2)11(4)13(14(6,7)15)12(5)10(8)3;;;;;;/h2*1-7H3;4*1H3;;/q2*-1;;;;;2*+1
InChIKeyINGLIOCYLAWTHM-UHFFFAOYSA-N
MW524.75 g/mol
LogP9.46
Rot. Bonds6

About dimethyl-[2-(2,3,4,5,6-pentamethylphenyl)propan-2-yloxy]alumane

dimethyl-[2-(2,3,4,5,6-pentamethylphenyl)propan-2-yloxy]alumane (PubChem CID 134906131) has the molecular formula C32H54Al2O2 and a molecular weight of 524.75 g/mol. Its IUPAC name is dimethyl-[2-(2,3,4,5,6-pentamethylphenyl)propan-2-yloxy]alumane.

Molecular Properties

Compound Namedimethyl-[2-(2,3,4,5,6-pentamethylphenyl)propan-2-yloxy]alumane
PubChem CID134906131
Molecular FormulaC32H54Al2O2
Molecular Weight524.75 g/mol
Exact Mass524.38
IUPAC Namedimethyl-[2-(2,3,4,5,6-pentamethylphenyl)propan-2-yloxy]alumane
SMILESCc1c(C)c(C)c(C(C)(C)O[Al](C)C)c(C)c1C.Cc1c(C)c(C)c(C(C)(C)O[Al](C)C)c(C)c1C
InChIInChI=1S/2C14H21O.4CH3.2Al/c2*1-8-9(2)11(4)13(14(6,7)15)12(5)10(8)3;;;;;;/h2*1-7H3;4*1H3;;/q2*-1;;;;;2*+1
InChIKeyINGLIOCYLAWTHM-UHFFFAOYSA-N
XLogP9.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.75
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-2-(2-tert-butyl-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzene
CID 158215736
2-[2,3,4,6-tetramethyl-5-(2-sulfanylpropan-2-yl)phenyl]propane-2-thiol
CID 121337528
1,2,3,4,5,6-hexamethylbenzene;ruthenium;dihydroiodide
CID 159746066
1,2,3,4-tetramethyl-5,6-bis(3-methylpentan-3-yl)benzene
CID 90880331
1,1-bis(2,3,4,5,6-pentamethylphenyl)ethyl acetate
CID 20673234
N-[2,3,4,6-tetramethyl-5-(trifluoromethyl)phenyl]hydroxylamine
CID 59115925
1,2,3,4,5-pentamethyl-6-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)phenyl]phenyl]benzene
CID 145429848
1-chloro-4-[1-chloro-1-(2,3,4,5,6-pentamethylphenyl)ethyl]-2,3,5,6-tetramethylbenzene
CID 135251989
1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene
CID 157259887
3-methyl-3-(2,3,4,5,6-pentamethylphenyl)butan-1-ol
CID 79837623
1,2-ditert-butyl-3,4,5,6-tetramethylbenzene;1,5-ditert-butyl-2,3,4-trimethylbenzene
CID 157157591
ethane;1,2,3,4,5,6-hexamethylbenzene
CID 144963527

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-(2,3,4,5,6-pentamethylphenyl)propan-2-yloxy]alumane?
The IUPAC name of dimethyl-[2-(2,3,4,5,6-pentamethylphenyl)propan-2-yloxy]alumane (CID 134906131) is dimethyl-[2-(2,3,4,5,6-pentamethylphenyl)propan-2-yloxy]alumane.
What is the SMILES notation for dimethyl-[2-(2,3,4,5,6-pentamethylphenyl)propan-2-yloxy]alumane?
The canonical SMILES for dimethyl-[2-(2,3,4,5,6-pentamethylphenyl)propan-2-yloxy]alumane is Cc1c(C)c(C)c(C(C)(C)O[Al](C)C)c(C)c1C.Cc1c(C)c(C)c(C(C)(C)O[Al](C)C)c(C)c1C.
What is the InChIKey of dimethyl-[2-(2,3,4,5,6-pentamethylphenyl)propan-2-yloxy]alumane?
The InChIKey is INGLIOCYLAWTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H21O.4CH3.2Al/c2*1-8-9(2)11(4)13(14(6,7)15)12(5)10(8)3;;;;;;/h2*1-7H3;4*1H3;;/q2*-1;;;;;2*+1.
What are the key properties of dimethyl-[2-(2,3,4,5,6-pentamethylphenyl)propan-2-yloxy]alumane?
dimethyl-[2-(2,3,4,5,6-pentamethylphenyl)propan-2-yloxy]alumane has a molecular weight of 524.75 g/mol, XLogP of 9.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-(2,3,4,5,6-pentamethylphenyl)propan-2-yloxy]alumane is sourced from PubChem (CID 134906131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).