dichloro(2-methylpropoxy)alumane

C4H9AlCl2O — CID 71365669

IUPACdichloro(2-methylpropoxy)alumane
SMILESCC(C)CO[Al](Cl)Cl
InChIInChI=1S/C4H9O.Al.2ClH/c1-4(2)3-5;;;/h4H,3H2,1-2H3;;2*1H/q-1;+3;;/p-2
InChIKeyUZVQWTNJZQZICK-UHFFFAOYSA-L
MW171.00 g/mol
LogP2.12
Rot. Bonds3

About dichloro(2-methylpropoxy)alumane

dichloro(2-methylpropoxy)alumane (PubChem CID 71365669) has the molecular formula C4H9AlCl2O and a molecular weight of 171.00 g/mol. Its IUPAC name is dichloro(2-methylpropoxy)alumane.

Molecular Properties

Compound Namedichloro(2-methylpropoxy)alumane
PubChem CID71365669
Molecular FormulaC4H9AlCl2O
Molecular Weight171.00 g/mol
Exact Mass169.98
IUPAC Namedichloro(2-methylpropoxy)alumane
SMILESCC(C)CO[Al](Cl)Cl
InChIInChI=1S/C4H9O.Al.2ClH/c1-4(2)3-5;;;/h4H,3H2,1-2H3;;2*1H/q-1;+3;;/p-2
InChIKeyUZVQWTNJZQZICK-UHFFFAOYSA-L
XLogP2.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.00
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of dichloro(2-methylpropoxy)alumane?
The IUPAC name of dichloro(2-methylpropoxy)alumane (CID 71365669) is dichloro(2-methylpropoxy)alumane.
What is the SMILES notation for dichloro(2-methylpropoxy)alumane?
The canonical SMILES for dichloro(2-methylpropoxy)alumane is CC(C)CO[Al](Cl)Cl.
What is the InChIKey of dichloro(2-methylpropoxy)alumane?
The InChIKey is UZVQWTNJZQZICK-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H9O.Al.2ClH/c1-4(2)3-5;;;/h4H,3H2,1-2H3;;2*1H/q-1;+3;;/p-2.
What are the key properties of dichloro(2-methylpropoxy)alumane?
dichloro(2-methylpropoxy)alumane has a molecular weight of 171.00 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(2-methylpropoxy)alumane is sourced from PubChem (CID 71365669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).