alumane;2,2-dichlorobutane

C4H11AlCl2 — CID 173433113

IUPACalumane;2,2-dichlorobutane
SMILESCCC(C)(Cl)Cl.[AlH3]
InChIInChI=1S/C4H8Cl2.Al.3H/c1-3-4(2,5)6;;;;/h3H2,1-2H3;;;;
InChIKeyVVWWJAZFIAODFK-UHFFFAOYSA-N
MW157.02 g/mol
LogP1.41
Rot. Bonds1

About alumane;2,2-dichlorobutane

alumane;2,2-dichlorobutane (PubChem CID 173433113) has the molecular formula C4H11AlCl2 and a molecular weight of 157.02 g/mol. Its IUPAC name is alumane;2,2-dichlorobutane.

Molecular Properties

Compound Namealumane;2,2-dichlorobutane
PubChem CID173433113
Molecular FormulaC4H11AlCl2
Molecular Weight157.02 g/mol
Exact Mass156.01
IUPAC Namealumane;2,2-dichlorobutane
SMILESCCC(C)(Cl)Cl.[AlH3]
InChIInChI=1S/C4H8Cl2.Al.3H/c1-3-4(2,5)6;;;;/h3H2,1-2H3;;;;
InChIKeyVVWWJAZFIAODFK-UHFFFAOYSA-N
XLogP1.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.02
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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;2,2-dichlorobutane?
The IUPAC name of alumane;2,2-dichlorobutane (CID 173433113) is alumane;2,2-dichlorobutane.
What is the SMILES notation for alumane;2,2-dichlorobutane?
The canonical SMILES for alumane;2,2-dichlorobutane is CCC(C)(Cl)Cl.[AlH3].
What is the InChIKey of alumane;2,2-dichlorobutane?
The InChIKey is VVWWJAZFIAODFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl2.Al.3H/c1-3-4(2,5)6;;;;/h3H2,1-2H3;;;;.
What are the key properties of alumane;2,2-dichlorobutane?
alumane;2,2-dichlorobutane has a molecular weight of 157.02 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;2,2-dichlorobutane is sourced from PubChem (CID 173433113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).