dimethylalumanylium;2,2,3,4-tetramethylpentan-3-olate

C11H25AlO — CID 175025691

IUPACdimethylalumanylium;2,2,3,4-tetramethylpentan-3-olate
SMILESCC(C)C(C)([O-])C(C)(C)C.C[Al+]C
InChIInChI=1S/C9H19O.2CH3.Al/c1-7(2)9(6,10)8(3,4)5;;;/h7H,1-6H3;2*1H3;/q-1;;;+1
InChIKeyQACVAPTWGBGAAQ-UHFFFAOYSA-N
MW200.30 g/mol
LogP2.59
Rot. Bonds1

About dimethylalumanylium;2,2,3,4-tetramethylpentan-3-olate

dimethylalumanylium;2,2,3,4-tetramethylpentan-3-olate (PubChem CID 175025691) has the molecular formula C11H25AlO and a molecular weight of 200.30 g/mol. Its IUPAC name is dimethylalumanylium;2,2,3,4-tetramethylpentan-3-olate.

Molecular Properties

Compound Namedimethylalumanylium;2,2,3,4-tetramethylpentan-3-olate
PubChem CID175025691
Molecular FormulaC11H25AlO
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC Namedimethylalumanylium;2,2,3,4-tetramethylpentan-3-olate
SMILESCC(C)C(C)([O-])C(C)(C)C.C[Al+]C
InChIInChI=1S/C9H19O.2CH3.Al/c1-7(2)9(6,10)8(3,4)5;;;/h7H,1-6H3;2*1H3;/q-1;;;+1
InChIKeyQACVAPTWGBGAAQ-UHFFFAOYSA-N
XLogP2.59
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of dimethylalumanylium;2,2,3,4-tetramethylpentan-3-olate?
The IUPAC name of dimethylalumanylium;2,2,3,4-tetramethylpentan-3-olate (CID 175025691) is dimethylalumanylium;2,2,3,4-tetramethylpentan-3-olate.
What is the SMILES notation for dimethylalumanylium;2,2,3,4-tetramethylpentan-3-olate?
The canonical SMILES for dimethylalumanylium;2,2,3,4-tetramethylpentan-3-olate is CC(C)C(C)([O-])C(C)(C)C.C[Al+]C.
What is the InChIKey of dimethylalumanylium;2,2,3,4-tetramethylpentan-3-olate?
The InChIKey is QACVAPTWGBGAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O.2CH3.Al/c1-7(2)9(6,10)8(3,4)5;;;/h7H,1-6H3;2*1H3;/q-1;;;+1.
What are the key properties of dimethylalumanylium;2,2,3,4-tetramethylpentan-3-olate?
dimethylalumanylium;2,2,3,4-tetramethylpentan-3-olate has a molecular weight of 200.30 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylalumanylium;2,2,3,4-tetramethylpentan-3-olate is sourced from PubChem (CID 175025691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).