alumane;1,2-dichloroethanol

C2H7AlCl2O — CID 174606739

IUPACalumane;1,2-dichloroethanol
SMILESOC(Cl)CCl.[AlH3]
InChIInChI=1S/C2H4Cl2O.Al.3H/c3-1-2(4)5;;;;/h2,5H,1H2;;;;
InChIKeyRTJFDGMUZZIWJQ-UHFFFAOYSA-N
MW144.97 g/mol
LogP-0.40
Rot. Bonds1

About alumane;1,2-dichloroethanol

alumane;1,2-dichloroethanol (PubChem CID 174606739) has the molecular formula C2H7AlCl2O and a molecular weight of 144.97 g/mol. Its IUPAC name is alumane;1,2-dichloroethanol.

Molecular Properties

Compound Namealumane;1,2-dichloroethanol
PubChem CID174606739
Molecular FormulaC2H7AlCl2O
Molecular Weight144.97 g/mol
Exact Mass143.97
IUPAC Namealumane;1,2-dichloroethanol
SMILESOC(Cl)CCl.[AlH3]
InChIInChI=1S/C2H4Cl2O.Al.3H/c3-1-2(4)5;;;;/h2,5H,1H2;;;;
InChIKeyRTJFDGMUZZIWJQ-UHFFFAOYSA-N
XLogP-0.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.97
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of alumane;1,2-dichloroethanol?
The IUPAC name of alumane;1,2-dichloroethanol (CID 174606739) is alumane;1,2-dichloroethanol.
What is the SMILES notation for alumane;1,2-dichloroethanol?
The canonical SMILES for alumane;1,2-dichloroethanol is OC(Cl)CCl.[AlH3].
What is the InChIKey of alumane;1,2-dichloroethanol?
The InChIKey is RTJFDGMUZZIWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Cl2O.Al.3H/c3-1-2(4)5;;;;/h2,5H,1H2;;;;.
What are the key properties of alumane;1,2-dichloroethanol?
alumane;1,2-dichloroethanol has a molecular weight of 144.97 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;1,2-dichloroethanol is sourced from PubChem (CID 174606739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).