dichloro(propoxy)alumane

C3H7AlCl2O — CID 16692732

IUPACdichloro(propoxy)alumane
SMILESCCCO[Al](Cl)Cl
InChIInChI=1S/C3H7O.Al.2ClH/c1-2-3-4;;;/h2-3H2,1H3;;2*1H/q-1;+3;;/p-2
InChIKeyLPKGHLBQQNQGBV-UHFFFAOYSA-L
MW156.98 g/mol
LogP1.88
Rot. Bonds3

About dichloro(propoxy)alumane

dichloro(propoxy)alumane (PubChem CID 16692732) has the molecular formula C3H7AlCl2O and a molecular weight of 156.98 g/mol. Its IUPAC name is dichloro(propoxy)alumane.

Molecular Properties

Compound Namedichloro(propoxy)alumane
PubChem CID16692732
Molecular FormulaC3H7AlCl2O
Molecular Weight156.98 g/mol
Exact Mass155.97
IUPAC Namedichloro(propoxy)alumane
SMILESCCCO[Al](Cl)Cl
InChIInChI=1S/C3H7O.Al.2ClH/c1-2-3-4;;;/h2-3H2,1H3;;2*1H/q-1;+3;;/p-2
InChIKeyLPKGHLBQQNQGBV-UHFFFAOYSA-L
XLogP1.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.98
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of dichloro(propoxy)alumane?
The IUPAC name of dichloro(propoxy)alumane (CID 16692732) is dichloro(propoxy)alumane.
What is the SMILES notation for dichloro(propoxy)alumane?
The canonical SMILES for dichloro(propoxy)alumane is CCCO[Al](Cl)Cl.
What is the InChIKey of dichloro(propoxy)alumane?
The InChIKey is LPKGHLBQQNQGBV-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H7O.Al.2ClH/c1-2-3-4;;;/h2-3H2,1H3;;2*1H/q-1;+3;;/p-2.
What are the key properties of dichloro(propoxy)alumane?
dichloro(propoxy)alumane has a molecular weight of 156.98 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(propoxy)alumane is sourced from PubChem (CID 16692732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).