2,2-dichloroethylalumane;hexane

C8H19AlCl2 — CID 175115338

IUPAC2,2-dichloroethylalumane;hexane
SMILESCCCCCC.[AlH2]CC(Cl)Cl
InChIInChI=1S/C6H14.C2H3Cl2.Al.2H/c1-3-5-6-4-2;1-2(3)4;;;/h3-6H2,1-2H3;2H,1H2;;;
InChIKeyFNJGIXPTNRQLDI-UHFFFAOYSA-N
MW213.13 g/mol
LogP3.43
Rot. Bonds4

About 2,2-dichloroethylalumane;hexane

2,2-dichloroethylalumane;hexane (PubChem CID 175115338) has the molecular formula C8H19AlCl2 and a molecular weight of 213.13 g/mol. Its IUPAC name is 2,2-dichloroethylalumane;hexane.

Molecular Properties

Compound Name2,2-dichloroethylalumane;hexane
PubChem CID175115338
Molecular FormulaC8H19AlCl2
Molecular Weight213.13 g/mol
Exact Mass212.07
IUPAC Name2,2-dichloroethylalumane;hexane
SMILESCCCCCC.[AlH2]CC(Cl)Cl
InChIInChI=1S/C6H14.C2H3Cl2.Al.2H/c1-3-5-6-4-2;1-2(3)4;;;/h3-6H2,1-2H3;2H,1H2;;;
InChIKeyFNJGIXPTNRQLDI-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.13
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

hexane;molybdenum
CID 162092649
1,1-dichloroheptane
CID 13184
chloroform;pentane
CID 19858055
beryllium;hexane;hydride
CID 173045264
1-chlorohexadecan-1-ol
CID 87967130
1,1-dichloroethane;1,2-dichloroethane;hexane
CID 175301802
1,1-dichloropentane;gallane
CID 174452216
hexane;hypochlorous acid
CID 88775298
calcium;hydride;octane
CID 173403164
17-chlorotritriacontane
CID 87852962
octane;propan-2-ol
CID 160746796
butylalumane;chloromethane
CID 174672871

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloroethylalumane;hexane?
The IUPAC name of 2,2-dichloroethylalumane;hexane (CID 175115338) is 2,2-dichloroethylalumane;hexane.
What is the SMILES notation for 2,2-dichloroethylalumane;hexane?
The canonical SMILES for 2,2-dichloroethylalumane;hexane is CCCCCC.[AlH2]CC(Cl)Cl.
What is the InChIKey of 2,2-dichloroethylalumane;hexane?
The InChIKey is FNJGIXPTNRQLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C2H3Cl2.Al.2H/c1-3-5-6-4-2;1-2(3)4;;;/h3-6H2,1-2H3;2H,1H2;;;.
What are the key properties of 2,2-dichloroethylalumane;hexane?
2,2-dichloroethylalumane;hexane has a molecular weight of 213.13 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloroethylalumane;hexane is sourced from PubChem (CID 175115338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).