1,2-dichloroethoxyalumane

C2H5AlCl2O — CID 173200961

IUPAC1,2-dichloroethoxyalumane
SMILES[AlH2]OC(Cl)CCl
InChIInChI=1S/C2H3Cl2O.Al.2H/c3-1-2(4)5;;;/h2H,1H2;;;/q-1;+1;;
InChIKeyKTXWNCXRWMWQMS-UHFFFAOYSA-N
MW142.95 g/mol
LogP0.35
Rot. Bonds2

About 1,2-dichloroethoxyalumane

1,2-dichloroethoxyalumane (PubChem CID 173200961) has the molecular formula C2H5AlCl2O and a molecular weight of 142.95 g/mol. Its IUPAC name is 1,2-dichloroethoxyalumane.

Molecular Properties

Compound Name1,2-dichloroethoxyalumane
PubChem CID173200961
Molecular FormulaC2H5AlCl2O
Molecular Weight142.95 g/mol
Exact Mass141.95
IUPAC Name1,2-dichloroethoxyalumane
SMILES[AlH2]OC(Cl)CCl
InChIInChI=1S/C2H3Cl2O.Al.2H/c3-1-2(4)5;;;/h2H,1H2;;;/q-1;+1;;
InChIKeyKTXWNCXRWMWQMS-UHFFFAOYSA-N
XLogP0.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.95
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,2-dichloroethoxyalumane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dichloroethyl dihydrogen phosphite
CID 57144706
1,2,3,4-tetrachlorobutane
CID 155672172
1,2,3-trichloropropane;hydrate
CID 172556253
(2S)-1,2-dichloro-3-[(2R)-2,3-dichloropropoxy]propane
CID 95858502
1,2-dichloroethyl dihydrogen phosphate;dihydrochloride
CID 172720576
1,2-dichloropropane;titanium
CID 88762967
alumane;1,2-dichloroethanol
CID 174606739
1,2,3-trichloro-1-(chloromethoxy)propane
CID 88829524
1-(1,2-dichloroethoxy)ethyl acetate
CID 19766036
1-chloro-N-methoxypropan-2-amine
CID 55298441
3-(1,2-dichloroethoxysilyl)propanenitrile
CID 175461131
dichloromethane;dichloromethylsilane
CID 173165759

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloroethoxyalumane?
The IUPAC name of 1,2-dichloroethoxyalumane (CID 173200961) is 1,2-dichloroethoxyalumane.
What is the SMILES notation for 1,2-dichloroethoxyalumane?
The canonical SMILES for 1,2-dichloroethoxyalumane is [AlH2]OC(Cl)CCl.
What is the InChIKey of 1,2-dichloroethoxyalumane?
The InChIKey is KTXWNCXRWMWQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3Cl2O.Al.2H/c3-1-2(4)5;;;/h2H,1H2;;;/q-1;+1;;.
What are the key properties of 1,2-dichloroethoxyalumane?
1,2-dichloroethoxyalumane has a molecular weight of 142.95 g/mol, XLogP of 0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloroethoxyalumane is sourced from PubChem (CID 173200961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).